Skip to content

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

C23H35NO3 — CID 163215089

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.