[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid

C13H18N2O4 — CID 135349152

IUPAC[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid
SMILESCON(C)C(=O)C(Cc1ccccc1)N(C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-14(13(17)18)11(12(16)15(2)19-3)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,17,18)
InChIKeyQURBAQWZDTWDJI-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.23
Rot. Bonds5

About [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid

[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid (PubChem CID 135349152) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid
PubChem CID135349152
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid
SMILESCON(C)C(=O)C(Cc1ccccc1)N(C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-14(13(17)18)11(12(16)15(2)19-3)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,17,18)
InChIKeyQURBAQWZDTWDJI-UHFFFAOYSA-N
XLogP1.23
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
CID 22910157
2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide
CID 22910298
(2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide
CID 57222497
[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate
CID 175073150
ethyl 2-benzyl-3-[methoxy(methyl)amino]-3-oxopropanoate
CID 59364045
[3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-1-phenylbutan-2-yl]carbamic acid
CID 22593860
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
2-amino-N-methoxy-N-methyl-3-methylidene-5-phenylpentanamide
CID 20800925
methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate
CID 11781471
2-hydroxy-N,N-dimethyl-3-phenylpropanamide
CID 18771503
2-[carbonochloridoyl(methyl)amino]-3-phenylpropanoic acid
CID 154004166
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398

Frequently Asked Questions

What is the IUPAC name of [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid?
The IUPAC name of [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid (CID 135349152) is [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid.
What is the SMILES notation for [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid?
The canonical SMILES for [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid is CON(C)C(=O)C(Cc1ccccc1)N(C)C(=O)O.
What is the InChIKey of [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid?
The InChIKey is QURBAQWZDTWDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-14(13(17)18)11(12(16)15(2)19-3)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,17,18).
What are the key properties of [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid?
[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid has a molecular weight of 266.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid is sourced from PubChem (CID 135349152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).