propyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]hexanoate

C23H35NO3 — CID 163215089

IUPACpropyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]hexanoate
SMILESCCCCC(C(=O)OCCC)c1ccc(C(=O)C2CCC(CN)CC2)cc1
InChIInChI=1S/C23H35NO3/c1-3-5-6-21(23(26)27-15-4-2)18-11-13-20(14-12-18)22(25)19-9-7-17(16-24)8-10-19/h11-14,17,19,21H,3-10,15-16,24H2,1-2H3
InChIKeyFXMIZMSZHURFHU-UHFFFAOYSA-N
MW373.54 g/mol
LogP4.86
Rot. Bonds10

About propyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]hexanoate

propyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]hexanoate (PubChem CID 163215089) has the molecular formula C23H35NO3 and a molecular weight of 373.54 g/mol. Its IUPAC name is propyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]hexanoate.

Molecular Properties

Compound Namepropyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]hexanoate
PubChem CID163215089
Molecular FormulaC23H35NO3
Molecular Weight373.54 g/mol
Exact Mass373.26
IUPAC Namepropyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]hexanoate
SMILESCCCCC(C(=O)OCCC)c1ccc(C(=O)C2CCC(CN)CC2)cc1
InChIInChI=1S/C23H35NO3/c1-3-5-6-21(23(26)27-15-4-2)18-11-13-20(14-12-18)22(25)19-9-7-17(16-24)8-10-19/h11-14,17,19,21H,3-10,15-16,24H2,1-2H3
InChIKeyFXMIZMSZHURFHU-UHFFFAOYSA-N
XLogP4.86
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 3-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]-2-methylhexanoate
CID 163215094
2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]hexyl acetate
CID 172830049
2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]propyl formate
CID 139529098
5-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]-2-ethylpentanoic acid
CID 175091315
ethyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]acetate
CID 54151231
(4-butylcyclohexyl)-(4-methoxyphenyl)methanone
CID 43160491
(4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone
CID 65424840
(4-butylcyclohexyl)-(4-iodophenyl)methanone
CID 43338206
propyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79524646
ethyl (2R)-2-(4-aminophenyl)hexanoate
CID 124565457
(3-amino-4-propoxyphenyl)-(4-butylcyclohexyl)methanone
CID 94759005
heptyl 2-phenylhexanoate
CID 67351180

Frequently Asked Questions

What is the IUPAC name of propyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]hexanoate?
The IUPAC name of propyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]hexanoate (CID 163215089) is propyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]hexanoate.
What is the SMILES notation for propyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]hexanoate?
The canonical SMILES for propyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]hexanoate is CCCCC(C(=O)OCCC)c1ccc(C(=O)C2CCC(CN)CC2)cc1.
What is the InChIKey of propyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]hexanoate?
The InChIKey is FXMIZMSZHURFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO3/c1-3-5-6-21(23(26)27-15-4-2)18-11-13-20(14-12-18)22(25)19-9-7-17(16-24)8-10-19/h11-14,17,19,21H,3-10,15-16,24H2,1-2H3.
What are the key properties of propyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]hexanoate?
propyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]hexanoate has a molecular weight of 373.54 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]hexanoate is sourced from PubChem (CID 163215089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).