methyl N-(4-acetylphenyl)carbamate;propane

C13H19NO3 — CID 177246404

IUPACmethyl N-(4-acetylphenyl)carbamate;propane
SMILESCCC.COC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C10H11NO3.C3H8/c1-7(12)8-3-5-9(6-4-8)11-10(13)14-2;1-3-2/h3-6H,1-2H3,(H,11,13);3H2,1-2H3
InChIKeyUHVUPSFCURWBAZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.48
Rot. Bonds2

About methyl N-(4-acetylphenyl)carbamate;propane

methyl N-(4-acetylphenyl)carbamate;propane (PubChem CID 177246404) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl N-(4-acetylphenyl)carbamate;propane.

Molecular Properties

Compound Namemethyl N-(4-acetylphenyl)carbamate;propane
PubChem CID177246404
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl N-(4-acetylphenyl)carbamate;propane
SMILESCCC.COC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C10H11NO3.C3H8/c1-7(12)8-3-5-9(6-4-8)11-10(13)14-2;1-3-2/h3-6H,1-2H3,(H,11,13);3H2,1-2H3
InChIKeyUHVUPSFCURWBAZ-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)ethanethioamide;propane
CID 143275437
methyl N-[4-(ethylcarbamoyl)phenyl]carbamate
CID 17123934
N-(4-acetylphenyl)-2-methoxy-2-methylpropanamide
CID 113233232
methyl N-(4-sulfanylphenyl)carbamate
CID 603048
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
1-(4-acetylphenyl)-3-(methoxymethyl)urea
CID 110676030
(1-chlorobutylideneamino) N-(4-acetylphenyl)carbamate
CID 3716356
methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate
CID 113049175
tert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate
CID 134492131
[(2S)-2-chloropropyl] N-(4-acetylphenyl)carbamate
CID 125485467

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-acetylphenyl)carbamate;propane?
The IUPAC name of methyl N-(4-acetylphenyl)carbamate;propane (CID 177246404) is methyl N-(4-acetylphenyl)carbamate;propane.
What is the SMILES notation for methyl N-(4-acetylphenyl)carbamate;propane?
The canonical SMILES for methyl N-(4-acetylphenyl)carbamate;propane is CCC.COC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of methyl N-(4-acetylphenyl)carbamate;propane?
The InChIKey is UHVUPSFCURWBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3.C3H8/c1-7(12)8-3-5-9(6-4-8)11-10(13)14-2;1-3-2/h3-6H,1-2H3,(H,11,13);3H2,1-2H3.
What are the key properties of methyl N-(4-acetylphenyl)carbamate;propane?
methyl N-(4-acetylphenyl)carbamate;propane has a molecular weight of 237.30 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-acetylphenyl)carbamate;propane is sourced from PubChem (CID 177246404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).