N-cycloheptyl-2-phenylbutanamide

C17H25NO — CID 2890971

IUPACN-cycloheptyl-2-phenylbutanamide
SMILESCCC(C(=O)NC1CCCCCC1)c1ccccc1
InChIInChI=1S/C17H25NO/c1-2-16(14-10-6-5-7-11-14)17(19)18-15-12-8-3-4-9-13-15/h5-7,10-11,15-16H,2-4,8-9,12-13H2,1H3,(H,18,19)
InChIKeyNEQSDCRSHKFOCT-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.02
Rot. Bonds4

About N-cycloheptyl-2-phenylbutanamide

N-cycloheptyl-2-phenylbutanamide (PubChem CID 2890971) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-cycloheptyl-2-phenylbutanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-phenylbutanamide
PubChem CID2890971
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-cycloheptyl-2-phenylbutanamide
SMILESCCC(C(=O)NC1CCCCCC1)c1ccccc1
InChIInChI=1S/C17H25NO/c1-2-16(14-10-6-5-7-11-14)17(19)18-15-12-8-3-4-9-13-15/h5-7,10-11,15-16H,2-4,8-9,12-13H2,1H3,(H,18,19)
InChIKeyNEQSDCRSHKFOCT-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-aminocyclohexyl)-2-phenylbutanamide
CID 43653055
(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
CID 1246145
2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389366
N-cyclopentyl-2-phenyl-3-pyridin-2-ylpropanamide
CID 110407019
N-cyclohexyl-2-pyridin-2-ylbutanamide
CID 21278990
N-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide
CID 106366938
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
N-(cyclohexylmethyl)-2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]benzamide
CID 93324127
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-phenylbutanamide?
The IUPAC name of N-cycloheptyl-2-phenylbutanamide (CID 2890971) is N-cycloheptyl-2-phenylbutanamide.
What is the SMILES notation for N-cycloheptyl-2-phenylbutanamide?
The canonical SMILES for N-cycloheptyl-2-phenylbutanamide is CCC(C(=O)NC1CCCCCC1)c1ccccc1.
What is the InChIKey of N-cycloheptyl-2-phenylbutanamide?
The InChIKey is NEQSDCRSHKFOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-16(14-10-6-5-7-11-14)17(19)18-15-12-8-3-4-9-13-15/h5-7,10-11,15-16H,2-4,8-9,12-13H2,1H3,(H,18,19).
What are the key properties of N-cycloheptyl-2-phenylbutanamide?
N-cycloheptyl-2-phenylbutanamide has a molecular weight of 259.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-phenylbutanamide is sourced from PubChem (CID 2890971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).