N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide

C18H26N2O — CID 115572811

IUPACN-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNC1CCC(c2ccccc2)CC1)C1CC1
InChIInChI=1S/C18H26N2O/c21-18(16-6-7-16)20-13-12-19-17-10-8-15(9-11-17)14-4-2-1-3-5-14/h1-5,15-17,19H,6-13H2,(H,20,21)
InChIKeyPTLJNARZSRRHFS-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.83
Rot. Bonds6

About N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 115572811) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID115572811
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNC1CCC(c2ccccc2)CC1)C1CC1
InChIInChI=1S/C18H26N2O/c21-18(16-6-7-16)20-13-12-19-17-10-8-15(9-11-17)14-4-2-1-3-5-14/h1-5,15-17,19H,6-13H2,(H,20,21)
InChIKeyPTLJNARZSRRHFS-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-phenylcyclohexyl)amino]ethylurea
CID 83111311
2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
CID 28650865
N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119406896
N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 103775963
3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide
CID 5214532
4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031272
3-[(4-phenylcyclohexyl)amino]propan-1-ol
CID 28714370
4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119535763
N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide
CID 104526953
N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 60925916
4-[(4-phenylcyclohexyl)amino]butan-1-ol
CID 106841006
N-[2-[(3-phenylcyclobutyl)amino]ethyl]acetamide
CID 43632255

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide (CID 115572811) is N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide is O=C(NCCNC1CCC(c2ccccc2)CC1)C1CC1.
What is the InChIKey of N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is PTLJNARZSRRHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(16-6-7-16)20-13-12-19-17-10-8-15(9-11-17)14-4-2-1-3-5-14/h1-5,15-17,19H,6-13H2,(H,20,21).
What are the key properties of N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 286.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115572811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).