methyl N-[4-(butanoylamino)phenyl]carbamate

C12H16N2O3 — CID 47251296

IUPACmethyl N-[4-(butanoylamino)phenyl]carbamate
SMILESCCCC(=O)Nc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C12H16N2O3/c1-3-4-11(15)13-9-5-7-10(8-6-9)14-12(16)17-2/h5-8H,3-4H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyDOBMKTHGNMOBRW-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.60
Rot. Bonds4

About methyl N-[4-(butanoylamino)phenyl]carbamate

methyl N-[4-(butanoylamino)phenyl]carbamate (PubChem CID 47251296) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl N-[4-(butanoylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(butanoylamino)phenyl]carbamate
PubChem CID47251296
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl N-[4-(butanoylamino)phenyl]carbamate
SMILESCCCC(=O)Nc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C12H16N2O3/c1-3-4-11(15)13-9-5-7-10(8-6-9)14-12(16)17-2/h5-8H,3-4H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyDOBMKTHGNMOBRW-UHFFFAOYSA-N
XLogP2.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl N-[4-(butanoylamino)phenyl]carbamate 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-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
methyl N-[4-[3-(ethylamino)propanoylamino]phenyl]carbamate
CID 62831983
methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate
CID 60841899
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
N-(4-butoxyphenyl)butanamide
CID 4939679
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
N-(4-formylphenyl)butanamide
CID 14471017
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride
CID 119625603
N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide
CID 954631
N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
CID 54813705
methyl N-[4-(ethylcarbamoyl)phenyl]carbamate
CID 17123934

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(butanoylamino)phenyl]carbamate?
The IUPAC name of methyl N-[4-(butanoylamino)phenyl]carbamate (CID 47251296) is methyl N-[4-(butanoylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(butanoylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(butanoylamino)phenyl]carbamate is CCCC(=O)Nc1ccc(NC(=O)OC)cc1.
What is the InChIKey of methyl N-[4-(butanoylamino)phenyl]carbamate?
The InChIKey is DOBMKTHGNMOBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-4-11(15)13-9-5-7-10(8-6-9)14-12(16)17-2/h5-8H,3-4H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of methyl N-[4-(butanoylamino)phenyl]carbamate?
methyl N-[4-(butanoylamino)phenyl]carbamate has a molecular weight of 236.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(butanoylamino)phenyl]carbamate is sourced from PubChem (CID 47251296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).