2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide

C16H24N2O — CID 54928140

IUPAC2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide
SMILESCCCCC(N)C(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C16H24N2O/c1-2-3-9-14(17)16(19)18-15(13-10-11-13)12-7-5-4-6-8-12/h4-8,13-15H,2-3,9-11,17H2,1H3,(H,18,19)
InChIKeyHWPMCEZOQXSTQO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.77
Rot. Bonds7

About 2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide

2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide (PubChem CID 54928140) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide
PubChem CID54928140
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide
SMILESCCCCC(N)C(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C16H24N2O/c1-2-3-9-14(17)16(19)18-15(13-10-11-13)12-7-5-4-6-8-12/h4-8,13-15H,2-3,9-11,17H2,1H3,(H,18,19)
InChIKeyHWPMCEZOQXSTQO-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide
CID 107569374
2-amino-N-(2-hydroxy-1-phenylethyl)hexanamide
CID 63183660
3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
CID 62671204
2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide
CID 60853479
4-[[(2S)-2-aminohexanoyl]amino]-4-phenylbutanoic acid
CID 107144822
2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 119308398
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 103871030
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 113342407
3-[[(2S)-2-aminohexanoyl]amino]-2-phenylpropanoic acid
CID 107145420
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119275692
(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide
CID 7447883

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide?
The IUPAC name of 2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide (CID 54928140) is 2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide.
What is the SMILES notation for 2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide?
The canonical SMILES for 2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide is CCCCC(N)C(=O)NC(c1ccccc1)C1CC1.
What is the InChIKey of 2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide?
The InChIKey is HWPMCEZOQXSTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-3-9-14(17)16(19)18-15(13-10-11-13)12-7-5-4-6-8-12/h4-8,13-15H,2-3,9-11,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide?
2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide has a molecular weight of 260.38 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide is sourced from PubChem (CID 54928140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).