2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide

C18H30N2O — CID 76893437

IUPAC2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(NC(=O)C(N)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-17(2,3)12-14(13-10-8-7-9-11-13)20-16(21)15(19)18(4,5)6/h7-11,14-15H,12,19H2,1-6H3,(H,20,21)
InChIKeyHSIHMCVYIBADHP-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.65
Rot. Bonds4

About 2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide

2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide (PubChem CID 76893437) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide
PubChem CID76893437
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(NC(=O)C(N)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-17(2,3)12-14(13-10-8-7-9-11-13)20-16(21)15(19)18(4,5)6/h7-11,14-15H,12,19H2,1-6H3,(H,20,21)
InChIKeyHSIHMCVYIBADHP-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide
CID 61155123
2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide
CID 60853479
3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide
CID 60837199
N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79196257
N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724674
2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide
CID 76888023
2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide
CID 107472030
2-(butan-2-ylamino)-N-(3,3-dimethyl-1-phenylbutyl)acetamide
CID 60853926
(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430
2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide
CID 106344306
(2S)-2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 119750973
2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid
CID 61329225

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide (CID 76893437) is 2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide is CC(C)(C)CC(NC(=O)C(N)C(C)(C)C)c1ccccc1.
What is the InChIKey of 2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide?
The InChIKey is HSIHMCVYIBADHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-17(2,3)12-14(13-10-8-7-9-11-13)20-16(21)15(19)18(4,5)6/h7-11,14-15H,12,19H2,1-6H3,(H,20,21).
What are the key properties of 2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide?
2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide has a molecular weight of 290.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 76893437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).