[3-(methylamino)-3-oxo-1-phenylpropyl] carbamate

C11H14N2O3 — CID 175179381

IUPAC[3-(methylamino)-3-oxo-1-phenylpropyl] carbamate
SMILESCNC(=O)CC(OC(N)=O)c1ccccc1
InChIInChI=1S/C11H14N2O3/c1-13-10(14)7-9(16-11(12)15)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyQDDISJLGTIHOHL-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.96
Rot. Bonds4

About [3-(methylamino)-3-oxo-1-phenylpropyl] carbamate

[3-(methylamino)-3-oxo-1-phenylpropyl] carbamate (PubChem CID 175179381) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is [3-(methylamino)-3-oxo-1-phenylpropyl] carbamate.

Molecular Properties

Compound Name[3-(methylamino)-3-oxo-1-phenylpropyl] carbamate
PubChem CID175179381
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name[3-(methylamino)-3-oxo-1-phenylpropyl] carbamate
SMILESCNC(=O)CC(OC(N)=O)c1ccccc1
InChIInChI=1S/C11H14N2O3/c1-13-10(14)7-9(16-11(12)15)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyQDDISJLGTIHOHL-UHFFFAOYSA-N
XLogP0.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

aniline;3-methoxy-N-methyl-3-phenylpropanamide
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(2-bromo-1-phenylethyl) carbamate
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N-methyl-3,3-diphenylpropanamide
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1-phenylbut-3-enyl carbamate
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1,3-diphenylpropyl carbamate
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[4-(methylamino)-4-oxo-1-phenylbutyl] acetate
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[amino(phenyl)methyl] carbamate
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N-methyl-3-phenyl-3-trimethylsilylpropanamide
CID 16732522
(3R)-4-hydroxy-N,4-dimethyl-3-phenylpentanamide
CID 10656608
[(1R)-2-chloro-1-phenylethyl] N-methylcarbamate
CID 11975171
4-hydroxy-N,4-dimethyl-3-phenylpentanamide
CID 85222036

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)-3-oxo-1-phenylpropyl] carbamate?
The IUPAC name of [3-(methylamino)-3-oxo-1-phenylpropyl] carbamate (CID 175179381) is [3-(methylamino)-3-oxo-1-phenylpropyl] carbamate.
What is the SMILES notation for [3-(methylamino)-3-oxo-1-phenylpropyl] carbamate?
The canonical SMILES for [3-(methylamino)-3-oxo-1-phenylpropyl] carbamate is CNC(=O)CC(OC(N)=O)c1ccccc1.
What is the InChIKey of [3-(methylamino)-3-oxo-1-phenylpropyl] carbamate?
The InChIKey is QDDISJLGTIHOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-13-10(14)7-9(16-11(12)15)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of [3-(methylamino)-3-oxo-1-phenylpropyl] carbamate?
[3-(methylamino)-3-oxo-1-phenylpropyl] carbamate has a molecular weight of 222.24 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)-3-oxo-1-phenylpropyl] carbamate is sourced from PubChem (CID 175179381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).