N-(4-aminocyclohexyl)-2-phenylbutanamide

C16H24N2O — CID 43653055

IUPACN-(4-aminocyclohexyl)-2-phenylbutanamide
SMILESCCC(C(=O)NC1CCC(N)CC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-15(12-6-4-3-5-7-12)16(19)18-14-10-8-13(17)9-11-14/h3-7,13-15H,2,8-11,17H2,1H3,(H,18,19)
InChIKeyBVEQHTCVNGUFAX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.57
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-phenylbutanamide

N-(4-aminocyclohexyl)-2-phenylbutanamide (PubChem CID 43653055) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-phenylbutanamide
PubChem CID43653055
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(4-aminocyclohexyl)-2-phenylbutanamide
SMILESCCC(C(=O)NC1CCC(N)CC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-15(12-6-4-3-5-7-12)16(19)18-14-10-8-13(17)9-11-14/h3-7,13-15H,2,8-11,17H2,1H3,(H,18,19)
InChIKeyBVEQHTCVNGUFAX-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

N-cycloheptyl-2-phenylbutanamide
CID 2890971
(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
CID 1246145
2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389366
2-amino-N-(4-aminocyclohexyl)-2-phenylacetamide
CID 62320729
N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide
CID 62318890
N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 119474856
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate
CID 46658533
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701
2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 2924317
N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120598998
ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate
CID 119738180
N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide
CID 119474355

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-phenylbutanamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-phenylbutanamide (CID 43653055) is N-(4-aminocyclohexyl)-2-phenylbutanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-phenylbutanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-phenylbutanamide is CCC(C(=O)NC1CCC(N)CC1)c1ccccc1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-phenylbutanamide?
The InChIKey is BVEQHTCVNGUFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-15(12-6-4-3-5-7-12)16(19)18-14-10-8-13(17)9-11-14/h3-7,13-15H,2,8-11,17H2,1H3,(H,18,19).
What are the key properties of N-(4-aminocyclohexyl)-2-phenylbutanamide?
N-(4-aminocyclohexyl)-2-phenylbutanamide has a molecular weight of 260.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-phenylbutanamide is sourced from PubChem (CID 43653055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).