(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide

C16H26N2O3 — CID 119725363

IUPAC(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(OC(C)CNC(=O)[C@@H](N)C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-11(10-18-15(19)14(17)16(2,3)4)21-13-8-6-12(20-5)7-9-13/h6-9,11,14H,10,17H2,1-5H3,(H,18,19)/t11?,14-/m1/s1
InChIKeyODIIQDJJHJZLKJ-SBXXRYSUSA-N
MW294.40 g/mol
LogP1.95
Rot. Bonds6

About (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide (PubChem CID 119725363) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide
PubChem CID119725363
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(OC(C)CNC(=O)[C@@H](N)C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-11(10-18-15(19)14(17)16(2,3)4)21-13-8-6-12(20-5)7-9-13/h6-9,11,14H,10,17H2,1-5H3,(H,18,19)/t11?,14-/m1/s1
InChIKeyODIIQDJJHJZLKJ-SBXXRYSUSA-N
XLogP1.95
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-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-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide
CID 119807122
2-amino-N-[2-(4-methoxyphenoxy)propyl]-2-phenylacetamide;hydrochloride
CID 119290481
(2S)-2-amino-N-[3-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide;hydrochloride
CID 119747949
(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119290472
(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
CID 61149357
(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide
CID 15239278
(2S)-2-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-3,3-dimethylbutanamide
CID 119776074
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
(2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 142496432
(2S)-2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3,3-dimethylbutanamide
CID 119815756
2-amino-N-[2-(4-methylphenoxy)propyl]-2-(4-methylphenyl)acetamide
CID 120667389
(2S)-2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119815755

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide (CID 119725363) is (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide is COc1ccc(OC(C)CNC(=O)[C@@H](N)C(C)(C)C)cc1.
What is the InChIKey of (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide?
The InChIKey is ODIIQDJJHJZLKJ-SBXXRYSUSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(10-18-15(19)14(17)16(2,3)4)21-13-8-6-12(20-5)7-9-13/h6-9,11,14H,10,17H2,1-5H3,(H,18,19)/t11?,14-/m1/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide has a molecular weight of 294.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119725363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).