methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate

C13H18N2O4 — CID 47308059

IUPACmethyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C13H18N2O4/c1-18-11-5-3-4-10(8-11)6-7-14-12(16)9-15-13(17)19-2/h3-5,8H,6-7,9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyIEHVBKVABAXAMX-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.71
Rot. Bonds6

About methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate

methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate (PubChem CID 47308059) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
PubChem CID47308059
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C13H18N2O4/c1-18-11-5-3-4-10(8-11)6-7-14-12(16)9-15-13(17)19-2/h3-5,8H,6-7,9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyIEHVBKVABAXAMX-UHFFFAOYSA-N
XLogP0.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]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

2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001073
methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate
CID 112995851
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate
CID 86673951
3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993552
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993558
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate (CID 47308059) is methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate is COC(=O)NCC(=O)NCCc1cccc(OC)c1.
What is the InChIKey of methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate?
The InChIKey is IEHVBKVABAXAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-18-11-5-3-4-10(8-11)6-7-14-12(16)9-15-13(17)19-2/h3-5,8H,6-7,9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate?
methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate has a molecular weight of 266.30 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 47308059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).