N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide

C13H20N2O2 — CID 63753357

IUPACN-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide
SMILESCCC(CN)NC(=O)C(OC)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-3-11(9-14)15-13(16)12(17-2)10-7-5-4-6-8-10/h4-8,11-12H,3,9,14H2,1-2H3,(H,15,16)
InChIKeyNHKDIIBFEQASDD-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.23
Rot. Bonds6

About N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide

N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide (PubChem CID 63753357) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide
PubChem CID63753357
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide
SMILESCCC(CN)NC(=O)C(OC)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-3-11(9-14)15-13(16)12(17-2)10-7-5-4-6-8-10/h4-8,11-12H,3,9,14H2,1-2H3,(H,15,16)
InChIKeyNHKDIIBFEQASDD-UHFFFAOYSA-N
XLogP1.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide 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

N-(2-amino-1-phenylethyl)-2-methoxy-2-phenylacetamide
CID 63755766
N-hex-5-yn-3-yl-2-methoxy-2-phenylacetamide
CID 113241228
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
N-(3-hydroxy-1-phenylpropyl)-2-methoxy-2-phenylacetamide
CID 110025911
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
[(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-methylbutyl] 2-methoxy-2-phenylacetate
CID 139251068
N-pentan-3-yl-2-phenoxy-2-phenylacetamide
CID 55752773
(2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 80750625
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 107144006
(2S)-2-methoxy-N-[(1S)-1-naphthalen-2-ylpropyl]-2-phenylacetamide
CID 70094116
N-(5-amino-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 106153440

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide?
The IUPAC name of N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide (CID 63753357) is N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide is CCC(CN)NC(=O)C(OC)c1ccccc1.
What is the InChIKey of N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide?
The InChIKey is NHKDIIBFEQASDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-11(9-14)15-13(16)12(17-2)10-7-5-4-6-8-10/h4-8,11-12H,3,9,14H2,1-2H3,(H,15,16).
What are the key properties of N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide?
N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 63753357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).