3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide

C15H24N2O — CID 60836669

IUPAC3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide
SMILESCC(N)CC(=O)NC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H24N2O/c1-11(16)10-13(18)17-14(15(2,3)4)12-8-6-5-7-9-12/h5-9,11,14H,10,16H2,1-4H3,(H,17,18)
InChIKeyYDOKCHIPIFPECQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.63
Rot. Bonds4

About 3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide

3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide (PubChem CID 60836669) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide
PubChem CID60836669
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide
SMILESCC(N)CC(=O)NC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H24N2O/c1-11(16)10-13(18)17-14(15(2,3)4)12-8-6-5-7-9-12/h5-9,11,14H,10,16H2,1-4H3,(H,17,18)
InChIKeyYDOKCHIPIFPECQ-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide
CID 82848318
3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide
CID 60837199
N-(2,2-dimethyl-1-phenylpropyl)-2-(methylamino)acetamide
CID 43705369
(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride
CID 119290104
3-amino-N-(2,2-dimethyl-1-phenylpropyl)-2,2-dimethylpropanamide
CID 115426224
3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride
CID 119816056
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride
CID 119801288
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
(2R)-2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid
CID 79010019
2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid
CID 61157521
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide
CID 11097278

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide?
The IUPAC name of 3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide (CID 60836669) is 3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide?
The canonical SMILES for 3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide is CC(N)CC(=O)NC(c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide?
The InChIKey is YDOKCHIPIFPECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(16)10-13(18)17-14(15(2,3)4)12-8-6-5-7-9-12/h5-9,11,14H,10,16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide?
3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide is sourced from PubChem (CID 60836669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).