2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide

C17H28N2O — CID 106344306

IUPAC2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide
SMILESCC(C)C(NC(CC(C)(C)C)c1ccccc1)C(N)=O
InChIInChI=1S/C17H28N2O/c1-12(2)15(16(18)20)19-14(11-17(3,4)5)13-9-7-6-8-10-13/h6-10,12,14-15,19H,11H2,1-5H3,(H2,18,20)
InChIKeyAKNPHYORMNWDMC-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.26
Rot. Bonds6

About 2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide

2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide (PubChem CID 106344306) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide
PubChem CID106344306
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide
SMILESCC(C)C(NC(CC(C)(C)C)c1ccccc1)C(N)=O
InChIInChI=1S/C17H28N2O/c1-12(2)15(16(18)20)19-14(11-17(3,4)5)13-9-7-6-8-10-13/h6-10,12,14-15,19H,11H2,1-5H3,(H2,18,20)
InChIKeyAKNPHYORMNWDMC-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide
CID 103729643
methyl (2S)-2-[(3,3-dimethyl-1-phenylbutyl)amino]propanoate
CID 43786798
(2R)-2-(benzhydrylamino)-3-methylbutanamide
CID 54455149
(2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide
CID 66657959
2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-propylpropanamide
CID 43781317
2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide
CID 76893437
3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide
CID 60837199
(2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide
CID 61155123
2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide
CID 106344282
3-methyl-2-(1-phenylpropan-2-ylamino)butanamide
CID 106344213
N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740482
2-(butan-2-ylamino)-N-(3,3-dimethyl-1-phenylbutyl)acetamide
CID 60853926

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide (CID 106344306) is 2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide is CC(C)C(NC(CC(C)(C)C)c1ccccc1)C(N)=O.
What is the InChIKey of 2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide?
The InChIKey is AKNPHYORMNWDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)15(16(18)20)19-14(11-17(3,4)5)13-9-7-6-8-10-13/h6-10,12,14-15,19H,11H2,1-5H3,(H2,18,20).
What are the key properties of 2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide?
2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide has a molecular weight of 276.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide is sourced from PubChem (CID 106344306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).