N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide

C27H24N2O3 — CID 46045761

IUPACN-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1)NCc1ccccc1
InChIInChI=1S/C27H24N2O3/c30-26(28-19-22-8-3-1-4-9-22)18-21-13-15-24(16-14-21)29(20-23-10-5-2-6-11-23)27(31)25-12-7-17-32-25/h1-17H,18-20H2,(H,28,30)
InChIKeyXODKTOZFWXZGRG-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.99
Rot. Bonds8

About N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide

N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide (PubChem CID 46045761) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
PubChem CID46045761
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC NameN-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1)NCc1ccccc1
InChIInChI=1S/C27H24N2O3/c30-26(28-19-22-8-3-1-4-9-22)18-21-13-15-24(16-14-21)29(20-23-10-5-2-6-11-23)27(31)25-12-7-17-32-25/h1-17H,18-20H2,(H,28,30)
InChIKeyXODKTOZFWXZGRG-UHFFFAOYSA-N
XLogP4.99
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 46046322
N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 46045640
N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide
CID 46045835
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide
CID 46045826
N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide
CID 92987128
N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 46045794
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 46052424
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052356
N-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide
CID 46056418
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052353
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 46052683
2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid
CID 42859169

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide (CID 46045761) is N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide is O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide?
The InChIKey is XODKTOZFWXZGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c30-26(28-19-22-8-3-1-4-9-22)18-21-13-15-24(16-14-21)29(20-23-10-5-2-6-11-23)27(31)25-12-7-17-32-25/h1-17H,18-20H2,(H,28,30).
What are the key properties of N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide?
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46045761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).