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Chemical ID: 7025098

Chemical ID:

7025098

Name [?]:

N-[(4-methoxyphenyl)methyl]-4-propoxy-benzamide

SMILES [?]:

CCCOc1ccc(cc1)C(=O)NCc2ccc(cc2)OC

InChi [?]:

InChI=1/C18H21NO3/c1-3-12-22-17-10-6-15(7-11-17)18(20)19-13-14-4-8-16(21-2)9-5-14/h4-11H,3,12-13H2,1-2H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,22,2,16,20,7,9,17,19,6,10,3,14,15,8,18,5,11,13,12,21,4/E:(4,5)(6,7)(8,9)(10,11)/rA:22nCCCOCCCCCCCONCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁NO₃
All Atoms:	43
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.23653
Area:	540.32
Solvation:	-4.27148
Coulombic:	-38.2273

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	299.364
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.75
LogP (Chemaxon):	3.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value