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

C12H16N2O4 — CID 175073150

IUPAC[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate
SMILESCON(C)C(=O)C(Cc1ccccc1)OC(N)=O
InChIInChI=1S/C12H16N2O4/c1-14(17-2)11(15)10(18-12(13)16)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H2,13,16)
InChIKeyVMSQIUDMQYAVCS-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.71
Rot. Bonds5

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

[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate (PubChem CID 175073150) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate
PubChem CID175073150
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate
SMILESCON(C)C(=O)C(Cc1ccccc1)OC(N)=O
InChIInChI=1S/C12H16N2O4/c1-14(17-2)11(15)10(18-12(13)16)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H2,13,16)
InChIKeyVMSQIUDMQYAVCS-UHFFFAOYSA-N
XLogP0.71
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
[1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl] carbamate
CID 174829596
2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide
CID 22910298
(2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide
CID 57222497
carbamoyl 2-carbamoyloxy-3-phenylpropanoate
CID 158081056
ethyl 2-benzyl-3-[methoxy(methyl)amino]-3-oxopropanoate
CID 59364045
[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid
CID 135349152
[3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-1-phenylbutan-2-yl]carbamic acid
CID 22593860
benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate
CID 58120009
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 54291526
2-(1-carboxy-2-phenylethoxy)-3-phenylpropanoic acid
CID 142766053

Frequently Asked Questions

What is the IUPAC name of [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate?
The IUPAC name of [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate (CID 175073150) is [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate?
The canonical SMILES for [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate is CON(C)C(=O)C(Cc1ccccc1)OC(N)=O.
What is the InChIKey of [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate?
The InChIKey is VMSQIUDMQYAVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-14(17-2)11(15)10(18-12(13)16)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H2,13,16).
What are the key properties of [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate?
[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate has a molecular weight of 252.27 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate is sourced from PubChem (CID 175073150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).