3-amino-N-(1,1-diphenylethyl)-2-methylbutanamide

C19H24N2O — CID 120500430

IUPAC3-amino-N-(1,1-diphenylethyl)-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-14(15(2)20)18(22)21-19(3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,20H2,1-3H3,(H,21,22)
InChIKeySDRXMIREWNUJRH-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.05
Rot. Bonds5

About 3-amino-N-(1,1-diphenylethyl)-2-methylbutanamide

3-amino-N-(1,1-diphenylethyl)-2-methylbutanamide (PubChem CID 120500430) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-amino-N-(1,1-diphenylethyl)-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(1,1-diphenylethyl)-2-methylbutanamide
PubChem CID120500430
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-amino-N-(1,1-diphenylethyl)-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-14(15(2)20)18(22)21-19(3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,20H2,1-3H3,(H,21,22)
InChIKeySDRXMIREWNUJRH-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride
CID 120501519
3-amino-2-methyl-3-phenyl-N-(2-phenylpropan-2-yl)propanamide;hydrochloride
CID 119709318
3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide
CID 119795633
3-amino-2-methyl-2-phenylbutanoic acid
CID 67114284
3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride
CID 120503282
(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride
CID 119290104
3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide
CID 80551789
(2R)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylbutanamide
CID 105058270
2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid
CID 76944505
(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one
CID 122674877
3-amino-2-fluoro-2-phenylbutanoic acid
CID 67114338
3-amino-2-(anilinomethyl)butanoic acid
CID 22626953

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,1-diphenylethyl)-2-methylbutanamide?
The IUPAC name of 3-amino-N-(1,1-diphenylethyl)-2-methylbutanamide (CID 120500430) is 3-amino-N-(1,1-diphenylethyl)-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-(1,1-diphenylethyl)-2-methylbutanamide?
The canonical SMILES for 3-amino-N-(1,1-diphenylethyl)-2-methylbutanamide is CC(N)C(C)C(=O)NC(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-amino-N-(1,1-diphenylethyl)-2-methylbutanamide?
The InChIKey is SDRXMIREWNUJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14(15(2)20)18(22)21-19(3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,20H2,1-3H3,(H,21,22).
What are the key properties of 3-amino-N-(1,1-diphenylethyl)-2-methylbutanamide?
3-amino-N-(1,1-diphenylethyl)-2-methylbutanamide has a molecular weight of 296.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,1-diphenylethyl)-2-methylbutanamide is sourced from PubChem (CID 120500430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).