(2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide

C16H26N2O2 — CID 119802599

IUPAC(2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
SMILESCc1cc(NC(=O)[C@@H](N)C(C)(C)C)ccc1OC(C)C
InChIInChI=1S/C16H26N2O2/c1-10(2)20-13-8-7-12(9-11(13)3)18-15(19)14(17)16(4,5)6/h7-10,14H,17H2,1-6H3,(H,18,19)/t14-/m1/s1
InChIKeyMDWUSEUPWVOVDV-CQSZACIVSA-N
MW278.40 g/mol
LogP3.09
Rot. Bonds4

About (2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide

(2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide (PubChem CID 119802599) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
PubChem CID119802599
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
SMILESCc1cc(NC(=O)[C@@H](N)C(C)(C)C)ccc1OC(C)C
InChIInChI=1S/C16H26N2O2/c1-10(2)20-13-8-7-12(9-11(13)3)18-15(19)14(17)16(4,5)6/h7-10,14H,17H2,1-6H3,(H,18,19)/t14-/m1/s1
InChIKeyMDWUSEUPWVOVDV-CQSZACIVSA-N
XLogP3.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide 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

2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
CID 76891825
2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 76892558
2-amino-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 82494452
(2S)-2-amino-N-(3-methyl-4-propan-2-yloxyphenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119334441
(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928285
1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774552
2-hydroxy-2-methyl-3-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122085546
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide
CID 61178466
(2R)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928800
4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid
CID 107208073
(2S)-2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119780776
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119688392

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide (CID 119802599) is (2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide is Cc1cc(NC(=O)[C@@H](N)C(C)(C)C)ccc1OC(C)C.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide?
The InChIKey is MDWUSEUPWVOVDV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10(2)20-13-8-7-12(9-11(13)3)18-15(19)14(17)16(4,5)6/h7-10,14H,17H2,1-6H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide?
(2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide has a molecular weight of 278.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 119802599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).