[4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamic acid

C13H18N2O4 — CID 87996763

IUPAC[4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamic acid
SMILESCON(C)C(=O)C(CCNC(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O4/c1-15(19-2)12(16)11(8-9-14-13(17)18)10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3,(H,17,18)
InChIKeyVXBVHUFZBFHIIT-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.45
Rot. Bonds6

About [4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamic acid

[4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamic acid (PubChem CID 87996763) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamic acid.

Molecular Properties

Compound Name[4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamic acid
PubChem CID87996763
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamic acid
SMILESCON(C)C(=O)C(CCNC(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O4/c1-15(19-2)12(16)11(8-9-14-13(17)18)10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3,(H,17,18)
InChIKeyVXBVHUFZBFHIIT-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamic acid 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-methoxy-N,4-dimethyl-2-phenylpentanamide
CID 22270428
[3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-2-phenylbutyl]carbamic acid
CID 87978009
(2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid
CID 11231294
tert-butyl N-[(3S)-3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-2-phenylbutyl]carbamate
CID 91135021
(2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide
CID 166438600
N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide
CID 166438028
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
N-methoxy-N-methyl-3-phenylbutanamide
CID 22612044
[3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-1-phenylbutan-2-yl]carbamic acid
CID 22593860
[1-(carboxyamino)-6,6-dimethyl-5-phenylheptan-3-yl]carbamic acid
CID 175536063
methyl 2-[methyl(2-phenylbutanoyl)amino]acetate
CID 43422766
(2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide
CID 161216773

Frequently Asked Questions

What is the IUPAC name of [4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamic acid?
The IUPAC name of [4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamic acid (CID 87996763) is [4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamic acid.
What is the SMILES notation for [4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamic acid?
The canonical SMILES for [4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamic acid is CON(C)C(=O)C(CCNC(=O)O)c1ccccc1.
What is the InChIKey of [4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamic acid?
The InChIKey is VXBVHUFZBFHIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-15(19-2)12(16)11(8-9-14-13(17)18)10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3,(H,17,18).
What are the key properties of [4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamic acid?
[4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamic acid has a molecular weight of 266.30 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamic acid is sourced from PubChem (CID 87996763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).