Chemical ID: 6032321

CCN(CC)CCCC(C)NC(=O)CCN(Cc1ccco1)C(=O)c2cc(oc2C)C
Chemical ID:
6032321
Name [?]:
N-[2-[(4-diethylamino-1-methyl-butyl)carbamoyl]ethyl]-N-(2-furylmethyl)-2,5-dimethyl-furan-3-carboxamide
SMILES [?]:
CCN(CC)CCCC(C)NC(=O)CCN(Cc1ccco1)C(=O)c2cc(oc2C)C
InChi [?]:
InChI=1/C24H37N3O4/c1-6-26(7-2)13-8-10-18(3)25-23(28)12-14-27(17-21-11-9-15-30-21)24(29)22-16-19(4)31-20(22)5/h9,11,15-16,18H,6-8,10,12-14,17H2,1-5H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,5,10,31,30,2,4,7,20,8,19,14,6,15,21,26,17,9,27,29,18,25,12,23,11,3,16,13,24,22,28/E:(1,2)(6,7)/rA:31cCCNCCCCCCCNCOCCNCCCCCOCOCCCOCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;s18s21;s16;d23;s23;s25;d26;s27;d25s28;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H37N3O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.3282
Area:691.462
Solvation:-4.95836
Coulombic:-54.7491
Bond Count [?]
All:32
Single:26
Double:6
Rotors:15
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:431.568
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.26
LogP (Chemaxon):1.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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