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Chemical ID: 4968574

Chemical ID:

4968574

Name [?]:

2-(isopropyl-methyl-amino)ethyl 2-cyclopentyl-2-phenyl-acetate

SMILES [?]:

CC(C)N(C)CCOC(=O)C(c1ccccc1)C2CCCC2

InChi [?]:

InChI=1/C19H29NO2/c1-15(2)20(3)13-14-22-19(21)18(17-11-7-8-12-17)16-9-5-4-6-10-16/h4-6,9-10,15,17-18H,7-8,11-14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,5,15,14,16,20,21,13,17,19,22,6,7,2,12,18,11,9,4,10,8/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:22cCCCNCCCOCOCCCCCCCCCCCC/rB:s1;s2;s2;s4;s4;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s11;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₉NO₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	2

ZAP Information [?]

Total:	10.4771
Area:	518.028
Solvation:	-2.47358
Coulombic:	-26.026

Bond Count [?]

All:	23
Single:	19
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	303.439
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.6
LogP (Chemaxon):	4.02

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