N-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide

C13H20N2O3 — CID 64974525

IUPACN-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide
SMILESCOCC(C)NC(=O)CNOCc1ccccc1
InChIInChI=1S/C13H20N2O3/c1-11(9-17-2)15-13(16)8-14-18-10-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H,15,16)
InChIKeyWNMTYCGCMBKBBW-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.86
Rot. Bonds8

About N-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide

N-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide (PubChem CID 64974525) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide
PubChem CID64974525
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide
SMILESCOCC(C)NC(=O)CNOCc1ccccc1
InChIInChI=1S/C13H20N2O3/c1-11(9-17-2)15-13(16)8-14-18-10-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H,15,16)
InChIKeyWNMTYCGCMBKBBW-UHFFFAOYSA-N
XLogP0.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide 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-(methylamino)-N-(1-phenylmethoxypropan-2-yl)acetamide;hydrochloride
CID 119804051
N-ethyl-2-(phenylmethoxyamino)acetamide
CID 64974421
2-amino-N-(1-phenylmethoxypropan-2-yl)acetamide
CID 119335277
N-[(2R)-1-methoxypropan-2-yl]-3,3-diphenylpropanamide
CID 7299747
N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
CID 95358537
2-(2-methoxyanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55437645
2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 114332045
2-[[2-(ethoxymethyl)phenyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 60976872
N-(1-methoxypropan-2-yl)-2-[(2-methylpropan-2-yl)oxyamino]acetamide
CID 82723999
2-methyl-3-(phenylmethoxyamino)propanoic acid
CID 21019710
benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate
CID 146517395
4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide
CID 119804040

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide (CID 64974525) is N-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide is COCC(C)NC(=O)CNOCc1ccccc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide?
The InChIKey is WNMTYCGCMBKBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-11(9-17-2)15-13(16)8-14-18-10-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H,15,16).
What are the key properties of N-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide?
N-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide has a molecular weight of 252.31 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide is sourced from PubChem (CID 64974525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).