N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide

C15H16N2O3 — CID 68724609

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
SMILESO=C(NCCNC(=O)C1CC1)c1cccc2occc12
InChIInChI=1S/C15H16N2O3/c18-14(10-4-5-10)16-7-8-17-15(19)12-2-1-3-13-11(12)6-9-20-13/h1-3,6,9-10H,4-5,7-8H2,(H,16,18)(H,17,19)
InChIKeyRUXYXZZFXKTKRK-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.69
Rot. Bonds5

About N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide

N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide (PubChem CID 68724609) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
PubChem CID68724609
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
SMILESO=C(NCCNC(=O)C1CC1)c1cccc2occc12
InChIInChI=1S/C15H16N2O3/c18-14(10-4-5-10)16-7-8-17-15(19)12-2-1-3-13-11(12)6-9-20-13/h1-3,6,9-10H,4-5,7-8H2,(H,16,18)(H,17,19)
InChIKeyRUXYXZZFXKTKRK-UHFFFAOYSA-N
XLogP1.69
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
CID 68725879
N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 67018181
N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride
CID 67018178
2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide
CID 106687261
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 115747449
N-[(4R)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide
CID 173107015
N-[(4S)-5-amino-4-methyl-5-oxopentyl]-1-benzofuran-4-carboxamide
CID 173106870
N-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide
CID 71223636
N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
CID 108538982
N-[2-(1-benzofuran-4-carbonylamino)ethyl]-N-cyclopropyl-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 67448612
1-benzofuran-4-carbonyl chloride
CID 23450130
N-[2-(cyclopropanecarbonylamino)ethyl]-2,3,4-trifluorobenzamide
CID 108542400

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide (CID 68724609) is N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide is O=C(NCCNC(=O)C1CC1)c1cccc2occc12.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide?
The InChIKey is RUXYXZZFXKTKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-14(10-4-5-10)16-7-8-17-15(19)12-2-1-3-13-11(12)6-9-20-13/h1-3,6,9-10H,4-5,7-8H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide is sourced from PubChem (CID 68724609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).