N-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide

C23H22N2O3 — CID 46056418

IUPACN-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide
SMILESC=CCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1
InChIInChI=1S/C23H22N2O3/c1-2-13-24-22(26)16-19-10-6-11-20(15-19)25(17-18-8-4-3-5-9-18)23(27)21-12-7-14-28-21/h2-12,14-15H,1,13,16-17H2,(H,24,26)
InChIKeyNWDBSBWPWKCPEM-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.97
Rot. Bonds8

About N-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide

N-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide (PubChem CID 46056418) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide
PubChem CID46056418
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide
SMILESC=CCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1
InChIInChI=1S/C23H22N2O3/c1-2-13-24-22(26)16-19-10-6-11-20(15-19)25(17-18-8-4-3-5-9-18)23(27)21-12-7-14-28-21/h2-12,14-15H,1,13,16-17H2,(H,24,26)
InChIKeyNWDBSBWPWKCPEM-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
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

2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid
CID 42859169
2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 42859183
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46045761
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46057030
3-[N-(furan-2-carbonyl)anilino]propanoic acid
CID 28764053
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]benzamide
CID 46046401
N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide
CID 46056385
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide
CID 46056381
N-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylacetamide
CID 9442349
5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224105
2-[benzyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072751
N-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide
CID 42859313

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide (CID 46056418) is N-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide is C=CCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1.
What is the InChIKey of N-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide?
The InChIKey is NWDBSBWPWKCPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-2-13-24-22(26)16-19-10-6-11-20(15-19)25(17-18-8-4-3-5-9-18)23(27)21-12-7-14-28-21/h2-12,14-15H,1,13,16-17H2,(H,24,26).
What are the key properties of N-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide?
N-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46056418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).