2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide

C18H30N2O — CID 60853479

IUPAC2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide
SMILESCCCCC(N)C(=O)NC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-5-6-12-15(19)17(21)20-16(13-18(2,3)4)14-10-8-7-9-11-14/h7-11,15-16H,5-6,12-13,19H2,1-4H3,(H,20,21)
InChIKeyVKFKKNPWCVITRI-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.80
Rot. Bonds7

About 2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide

2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide (PubChem CID 60853479) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide
PubChem CID60853479
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide
SMILESCCCCC(N)C(=O)NC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-5-6-12-15(19)17(21)20-16(13-18(2,3)4)14-10-8-7-9-11-14/h7-11,15-16H,5-6,12-13,19H2,1-4H3,(H,20,21)
InChIKeyVKFKKNPWCVITRI-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2S)-2-aminohexanoyl]amino]-4-phenylbutanoic acid
CID 107144822
2-amino-N-(2-hydroxy-1-phenylethyl)hexanamide
CID 63183660
(2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide
CID 61155123
2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide
CID 76893437
3-(2-aminopentanoylamino)-3-phenylpropanoic acid
CID 61156736
2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide
CID 54928140
2-amino-N-(1,2-diphenylethyl)pentanamide;hydrochloride
CID 119271471
3-[[(2S)-2-aminohexanoyl]amino]-5,5-dimethylhexanoic acid
CID 107146590
3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide
CID 60837199
N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79196257
2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide
CID 107472030
N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724674

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide?
The IUPAC name of 2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide (CID 60853479) is 2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide.
What is the SMILES notation for 2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide?
The canonical SMILES for 2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide is CCCCC(N)C(=O)NC(CC(C)(C)C)c1ccccc1.
What is the InChIKey of 2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide?
The InChIKey is VKFKKNPWCVITRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-6-12-15(19)17(21)20-16(13-18(2,3)4)14-10-8-7-9-11-14/h7-11,15-16H,5-6,12-13,19H2,1-4H3,(H,20,21).
What are the key properties of 2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide?
2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide has a molecular weight of 290.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide is sourced from PubChem (CID 60853479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).