N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide

C23H22N2O3 — CID 60571464

IUPACN-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
SMILESC=CCN(CC=C)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C23H22N2O3/c1-3-13-25(14-4-2)22(26)15-17-9-11-19(12-10-17)24-23(27)21-16-18-7-5-6-8-20(18)28-21/h3-12,16H,1-2,13-15H2,(H,24,27)
InChIKeyTUESIHDEXLLWEC-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.43
Rot. Bonds8

About N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide

N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 60571464) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
PubChem CID60571464
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
SMILESC=CCN(CC=C)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C23H22N2O3/c1-3-13-25(14-4-2)22(26)15-17-9-11-19(12-10-17)24-23(27)21-16-18-7-5-6-8-20(18)28-21/h3-12,16H,1-2,13-15H2,(H,24,27)
InChIKeyTUESIHDEXLLWEC-UHFFFAOYSA-N
XLogP4.43
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572574
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 56586618
methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate
CID 60572698
N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60571787
[4-(1-benzofuran-2-carbonylamino)phenyl] acetate
CID 6457571
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 54858220
ethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate
CID 13473060
N-[4-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117653
N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide
CID 119536846
N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572617

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide (CID 60571464) is N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide is C=CCN(CC=C)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is TUESIHDEXLLWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-3-13-25(14-4-2)22(26)15-17-9-11-19(12-10-17)24-23(27)21-16-18-7-5-6-8-20(18)28-21/h3-12,16H,1-2,13-15H2,(H,24,27).
What are the key properties of N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 60571464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).