4-(2-phenylpropylamino)cyclohexane-1-carboxamide

C16H24N2O — CID 43748733

IUPAC4-(2-phenylpropylamino)cyclohexane-1-carboxamide
SMILESCC(CNC1CCC(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-12(13-5-3-2-4-6-13)11-18-15-9-7-14(8-10-15)16(17)19/h2-6,12,14-15,18H,7-11H2,1H3,(H2,17,19)
InChIKeyFBJONHFVYHZOAW-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.42
Rot. Bonds5

About 4-(2-phenylpropylamino)cyclohexane-1-carboxamide

4-(2-phenylpropylamino)cyclohexane-1-carboxamide (PubChem CID 43748733) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(2-phenylpropylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-phenylpropylamino)cyclohexane-1-carboxamide
PubChem CID43748733
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-(2-phenylpropylamino)cyclohexane-1-carboxamide
SMILESCC(CNC1CCC(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-12(13-5-3-2-4-6-13)11-18-15-9-7-14(8-10-15)16(17)19/h2-6,12,14-15,18H,7-11H2,1H3,(H2,17,19)
InChIKeyFBJONHFVYHZOAW-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone
CID 43434778
3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid
CID 61044220
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide
CID 81134804
4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine
CID 65090143
1-methylsulfonyl-N-(2-phenylpropyl)piperidin-4-amine
CID 43432051
4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119776410
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide
CID 61043138
N-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine
CID 103560913
4-(2-cyanopropylamino)cyclohexane-1-carboxamide
CID 61043742
4-(3-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748734
4-(2-hydroxybutylamino)cyclohexane-1-carboxamide
CID 61042883

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylpropylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2-phenylpropylamino)cyclohexane-1-carboxamide (CID 43748733) is 4-(2-phenylpropylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-phenylpropylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-phenylpropylamino)cyclohexane-1-carboxamide is CC(CNC1CCC(C(N)=O)CC1)c1ccccc1.
What is the InChIKey of 4-(2-phenylpropylamino)cyclohexane-1-carboxamide?
The InChIKey is FBJONHFVYHZOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(13-5-3-2-4-6-13)11-18-15-9-7-14(8-10-15)16(17)19/h2-6,12,14-15,18H,7-11H2,1H3,(H2,17,19).
What are the key properties of 4-(2-phenylpropylamino)cyclohexane-1-carboxamide?
4-(2-phenylpropylamino)cyclohexane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylpropylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 43748733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).