2-(cyclohexylamino)-3-phenylbutanamide

C16H24N2O — CID 61307705

IUPAC2-(cyclohexylamino)-3-phenylbutanamide
SMILESCC(c1ccccc1)C(NC1CCCCC1)C(N)=O
InChIInChI=1S/C16H24N2O/c1-12(13-8-4-2-5-9-13)15(16(17)19)18-14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15,18H,3,6-7,10-11H2,1H3,(H2,17,19)
InChIKeyJNNTZWXFGGPKDB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.57
Rot. Bonds5

About 2-(cyclohexylamino)-3-phenylbutanamide

2-(cyclohexylamino)-3-phenylbutanamide (PubChem CID 61307705) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(cyclohexylamino)-3-phenylbutanamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-3-phenylbutanamide
PubChem CID61307705
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(cyclohexylamino)-3-phenylbutanamide
SMILESCC(c1ccccc1)C(NC1CCCCC1)C(N)=O
InChIInChI=1S/C16H24N2O/c1-12(13-8-4-2-5-9-13)15(16(17)19)18-14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15,18H,3,6-7,10-11H2,1H3,(H2,17,19)
InChIKeyJNNTZWXFGGPKDB-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
N-(1-phenylethyl)cyclododecanamine
CID 60662638
ethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate
CID 71740166
2-(cyclopentylamino)-3-phenylbutan-1-ol
CID 61309786
(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
CID 134503072
(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
CID 149151230
(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
CID 95510992
benzyl 2-(cyclopentylamino)propanoate
CID 123711216
(2S)-2-(cycloheptylamino)propanamide
CID 93300220
3-(cyclohexylamino)-3-phenylpropanoic acid
CID 82931876
methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane
CID 162170584
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-3-phenylbutanamide?
The IUPAC name of 2-(cyclohexylamino)-3-phenylbutanamide (CID 61307705) is 2-(cyclohexylamino)-3-phenylbutanamide.
What is the SMILES notation for 2-(cyclohexylamino)-3-phenylbutanamide?
The canonical SMILES for 2-(cyclohexylamino)-3-phenylbutanamide is CC(c1ccccc1)C(NC1CCCCC1)C(N)=O.
What is the InChIKey of 2-(cyclohexylamino)-3-phenylbutanamide?
The InChIKey is JNNTZWXFGGPKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(13-8-4-2-5-9-13)15(16(17)19)18-14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15,18H,3,6-7,10-11H2,1H3,(H2,17,19).
What are the key properties of 2-(cyclohexylamino)-3-phenylbutanamide?
2-(cyclohexylamino)-3-phenylbutanamide has a molecular weight of 260.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-3-phenylbutanamide is sourced from PubChem (CID 61307705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).