3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide

C16H26N2O — CID 60837199

IUPAC3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide
SMILESCC(N)CC(=O)NC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-12(17)10-15(19)18-14(11-16(2,3)4)13-8-6-5-7-9-13/h5-9,12,14H,10-11,17H2,1-4H3,(H,18,19)
InChIKeyBCEATGKBTZCPJF-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.02
Rot. Bonds5

About 3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide

3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide (PubChem CID 60837199) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide
PubChem CID60837199
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide
SMILESCC(N)CC(=O)NC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-12(17)10-15(19)18-14(11-16(2,3)4)13-8-6-5-7-9-13/h5-9,12,14H,10-11,17H2,1-4H3,(H,18,19)
InChIKeyBCEATGKBTZCPJF-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide
CID 60836669
(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
2-(butan-2-ylamino)-N-(3,3-dimethyl-1-phenylbutyl)acetamide
CID 60853926
2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid
CID 61329225
N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79196257
2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide
CID 60853479
N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724674
N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 55690067
3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride
CID 119735720
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
methyl (2S)-2-[(3,3-dimethyl-1-phenylbutyl)amino]propanoate
CID 43786798

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide?
The IUPAC name of 3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide (CID 60837199) is 3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide.
What is the SMILES notation for 3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide?
The canonical SMILES for 3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide is CC(N)CC(=O)NC(CC(C)(C)C)c1ccccc1.
What is the InChIKey of 3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide?
The InChIKey is BCEATGKBTZCPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(17)10-15(19)18-14(11-16(2,3)4)13-8-6-5-7-9-13/h5-9,12,14H,10-11,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide?
3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide has a molecular weight of 262.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide is sourced from PubChem (CID 60837199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).