N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide

C15H22N2O — CID 16796065

IUPACN-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
SMILESCC(N)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C15H22N2O/c1-11(16)13-8-5-9-14(10-13)17-15(18)12-6-3-2-4-7-12/h5,8-12H,2-4,6-7,16H2,1H3,(H,17,18)
InChIKeyRFDTWSDZZWBUFQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.23
Rot. Bonds3

About N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide

N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide (PubChem CID 16796065) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
PubChem CID16796065
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
SMILESCC(N)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C15H22N2O/c1-11(16)13-8-5-9-14(10-13)17-15(18)12-6-3-2-4-7-12/h5,8-12H,2-4,6-7,16H2,1H3,(H,17,18)
InChIKeyRFDTWSDZZWBUFQ-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1-aminoethyl)phenyl]cyclopentanecarboxamide
CID 16787772
N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
CID 43507810
1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
CID 61339811
N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
CID 46580283
4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 60848284
N-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 68644459
N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119814666
N-[3-(3,3-dideuterio-1-hydroxybutyl)phenyl]cyclohexanecarboxamide
CID 90337055
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate
CID 60609882
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
3-(cyclohexanecarbonylamino)-N-(1-hydroxypropan-2-yl)benzamide
CID 78866259

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide (CID 16796065) is N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide is CC(N)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide?
The InChIKey is RFDTWSDZZWBUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(16)13-8-5-9-14(10-13)17-15(18)12-6-3-2-4-7-12/h5,8-12H,2-4,6-7,16H2,1H3,(H,17,18).
What are the key properties of N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide?
N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide has a molecular weight of 246.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 16796065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).