trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide

C38H56N4O2 — CID 69221581

IUPACtrans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCCCNC1CCCCC1)[C@@H]1C[C@H]1c1ccccc1.O=C(NCCCNC1CCCCC1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/2C19H28N2O/c2*22-19(18-14-17(18)15-8-3-1-4-9-15)21-13-7-12-20-16-10-5-2-6-11-16/h2*1,3-4,8-9,16-18,20H,2,5-7,10-14H2,(H,21,22)/t2*17-,18+/m00/s1
InChIKeyDURWKAUGTCEJOK-LRKRVMQJSA-N
MW600.89 g/mol
LogP6.44
Rot. Bonds14

About trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 69221581) has the molecular formula C38H56N4O2 and a molecular weight of 600.89 g/mol. Its IUPAC name is trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID69221581
Molecular FormulaC38H56N4O2
Molecular Weight600.89 g/mol
Exact Mass600.44
IUPAC Nametrans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCCCNC1CCCCC1)[C@@H]1C[C@H]1c1ccccc1.O=C(NCCCNC1CCCCC1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/2C19H28N2O/c2*22-19(18-14-17(18)15-8-3-1-4-9-15)21-13-7-12-20-16-10-5-2-6-11-16/h2*1,3-4,8-9,16-18,20H,2,5-7,10-14H2,(H,21,22)/t2*17-,18+/m00/s1
InChIKeyDURWKAUGTCEJOK-LRKRVMQJSA-N
XLogP6.44
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.89
LogP ≤ 56.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide 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

N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
CID 110625222
N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119620062
N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide
CID 110612039
cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 40540857
N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111471582
trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 99776033
cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 41098263
N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 119406404
N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide
CID 115594336
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 124860014
N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide
CID 146474949

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide (CID 69221581) is trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide is O=C(NCCCNC1CCCCC1)[C@@H]1C[C@H]1c1ccccc1.O=C(NCCCNC1CCCCC1)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is DURWKAUGTCEJOK-LRKRVMQJSA-N. The full InChI is InChI=1S/2C19H28N2O/c2*22-19(18-14-17(18)15-8-3-1-4-9-15)21-13-7-12-20-16-10-5-2-6-11-16/h2*1,3-4,8-9,16-18,20H,2,5-7,10-14H2,(H,21,22)/t2*17-,18+/m00/s1.
What are the key properties of trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 600.89 g/mol, XLogP of 6.44, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 69221581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).