2-(3,3-dimethylbutanoylamino)-3-methyl-N-(1-phenylethyl)pentanamide

C20H32N2O2 — CID 42703986

IUPAC2-(3,3-dimethylbutanoylamino)-3-methyl-N-(1-phenylethyl)pentanamide
SMILESCCC(C)C(NC(=O)CC(C)(C)C)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H32N2O2/c1-7-14(2)18(22-17(23)13-20(4,5)6)19(24)21-15(3)16-11-9-8-10-12-16/h8-12,14-15,18H,7,13H2,1-6H3,(H,21,24)(H,22,23)
InChIKeyIBAKZHFWCFDEQR-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.83
Rot. Bonds7

About 2-(3,3-dimethylbutanoylamino)-3-methyl-N-(1-phenylethyl)pentanamide

2-(3,3-dimethylbutanoylamino)-3-methyl-N-(1-phenylethyl)pentanamide (PubChem CID 42703986) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-(3,3-dimethylbutanoylamino)-3-methyl-N-(1-phenylethyl)pentanamide.

Molecular Properties

Compound Name2-(3,3-dimethylbutanoylamino)-3-methyl-N-(1-phenylethyl)pentanamide
PubChem CID42703986
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2-(3,3-dimethylbutanoylamino)-3-methyl-N-(1-phenylethyl)pentanamide
SMILESCCC(C)C(NC(=O)CC(C)(C)C)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H32N2O2/c1-7-14(2)18(22-17(23)13-20(4,5)6)19(24)21-15(3)16-11-9-8-10-12-16/h8-12,14-15,18H,7,13H2,1-6H3,(H,21,24)(H,22,23)
InChIKeyIBAKZHFWCFDEQR-UHFFFAOYSA-N
XLogP3.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149
3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide
CID 42703989
(2S,3S)-2-(3,3-dimethylbutanoylamino)-3-methylpentanoic acid
CID 30077393
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
3,5,5-trimethyl-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]hexanamide
CID 42703747
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]pentanamide
CID 126339303
methyl 2-(3,3-dimethylbutanoylamino)-3-methylpentanoate
CID 86977052
(2S,3R)-3-methyl-2-[[(1S)-1-phenylethyl]carbamoylamino]pentanoate
CID 7559953
(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
CID 42563153

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutanoylamino)-3-methyl-N-(1-phenylethyl)pentanamide?
The IUPAC name of 2-(3,3-dimethylbutanoylamino)-3-methyl-N-(1-phenylethyl)pentanamide (CID 42703986) is 2-(3,3-dimethylbutanoylamino)-3-methyl-N-(1-phenylethyl)pentanamide.
What is the SMILES notation for 2-(3,3-dimethylbutanoylamino)-3-methyl-N-(1-phenylethyl)pentanamide?
The canonical SMILES for 2-(3,3-dimethylbutanoylamino)-3-methyl-N-(1-phenylethyl)pentanamide is CCC(C)C(NC(=O)CC(C)(C)C)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-(3,3-dimethylbutanoylamino)-3-methyl-N-(1-phenylethyl)pentanamide?
The InChIKey is IBAKZHFWCFDEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-7-14(2)18(22-17(23)13-20(4,5)6)19(24)21-15(3)16-11-9-8-10-12-16/h8-12,14-15,18H,7,13H2,1-6H3,(H,21,24)(H,22,23).
What are the key properties of 2-(3,3-dimethylbutanoylamino)-3-methyl-N-(1-phenylethyl)pentanamide?
2-(3,3-dimethylbutanoylamino)-3-methyl-N-(1-phenylethyl)pentanamide has a molecular weight of 332.49 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutanoylamino)-3-methyl-N-(1-phenylethyl)pentanamide is sourced from PubChem (CID 42703986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).