4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide

C16H24N2O — CID 60848284

IUPAC4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
SMILESCC(C)c1cccc(NC(=O)C2CCC(N)CC2)c1
InChIInChI=1S/C16H24N2O/c1-11(2)13-4-3-5-15(10-13)18-16(19)12-6-8-14(17)9-7-12/h3-5,10-12,14H,6-9,17H2,1-2H3,(H,18,19)
InChIKeyWDSPPWCHLKUUJO-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.27
Rot. Bonds3

About 4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide

4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide (PubChem CID 60848284) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
PubChem CID60848284
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
SMILESCC(C)c1cccc(NC(=O)C2CCC(N)CC2)c1
InChIInChI=1S/C16H24N2O/c1-11(2)13-4-3-5-15(10-13)18-16(19)12-6-8-14(17)9-7-12/h3-5,10-12,14H,6-9,17H2,1-2H3,(H,18,19)
InChIKeyWDSPPWCHLKUUJO-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
CID 16796065
N-[3-(1-aminoethyl)phenyl]cyclopentanecarboxamide
CID 16787772
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992
2-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 106738709
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
CID 43507810
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097142
1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46420018
1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
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N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
CID 119477045

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide (CID 60848284) is 4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide is CC(C)c1cccc(NC(=O)C2CCC(N)CC2)c1.
What is the InChIKey of 4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide?
The InChIKey is WDSPPWCHLKUUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)13-4-3-5-15(10-13)18-16(19)12-6-8-14(17)9-7-12/h3-5,10-12,14H,6-9,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide?
4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60848284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).