methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate

C16H18N2O4 — CID 25014882

IUPACmethyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2occ(CCNC(=O)C3CC3)c2c1
InChIInChI=1S/C16H18N2O4/c1-21-16(20)18-12-4-5-14-13(8-12)11(9-22-14)6-7-17-15(19)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyKYSCWFKYUJDVHS-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.68
Rot. Bonds5

About methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate

methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate (PubChem CID 25014882) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate
PubChem CID25014882
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Namemethyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2occ(CCNC(=O)C3CC3)c2c1
InChIInChI=1S/C16H18N2O4/c1-21-16(20)18-12-4-5-14-13(8-12)11(9-22-14)6-7-17-15(19)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyKYSCWFKYUJDVHS-UHFFFAOYSA-N
XLogP2.68
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]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-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide
CID 18007934
N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]cyclopropanecarboxamide
CID 127026426
N-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide
CID 21460979
N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 115159596
methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate
CID 21091219
1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea
CID 21460951
4-[2-[(4-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzoic acid
CID 138029124
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687188
4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148979
4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146590
N-[2-(6-methoxyquinolin-4-yl)ethyl]cyclopropanecarboxamide
CID 19709964
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146700

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate?
The IUPAC name of methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate (CID 25014882) is methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate.
What is the SMILES notation for methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate?
The canonical SMILES for methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate is COC(=O)Nc1ccc2occ(CCNC(=O)C3CC3)c2c1.
What is the InChIKey of methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate?
The InChIKey is KYSCWFKYUJDVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-21-16(20)18-12-4-5-14-13(8-12)11(9-22-14)6-7-17-15(19)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate?
methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate has a molecular weight of 302.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate is sourced from PubChem (CID 25014882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).