N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide

C29H28N2O3 — CID 46052683

IUPACN-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1cccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)N(C)Cc3ccccc3)cc2)c1
InChIInChI=1S/C29H28N2O3/c1-22-8-6-11-25(18-22)21-31(29(33)27-12-7-17-34-27)26-15-13-23(14-16-26)19-28(32)30(2)20-24-9-4-3-5-10-24/h3-18H,19-21H2,1-2H3
InChIKeyXXUONPDXPBWNMW-UHFFFAOYSA-N
MW452.55 g/mol
LogP5.64
Rot. Bonds8

About N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide

N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide (PubChem CID 46052683) has the molecular formula C29H28N2O3 and a molecular weight of 452.55 g/mol. Its IUPAC name is N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
PubChem CID46052683
Molecular FormulaC29H28N2O3
Molecular Weight452.55 g/mol
Exact Mass452.21
IUPAC NameN-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1cccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)N(C)Cc3ccccc3)cc2)c1
InChIInChI=1S/C29H28N2O3/c1-22-8-6-11-25(18-22)21-31(29(33)27-12-7-17-34-27)26-15-13-23(14-16-26)19-28(32)30(2)20-24-9-4-3-5-10-24/h3-18H,19-21H2,1-2H3
InChIKeyXXUONPDXPBWNMW-UHFFFAOYSA-N
XLogP5.64
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 55.64
H-Bond Donors ≤ 50
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-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46052590
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46045761
N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46052547
3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide
CID 46046802
N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide
CID 92987128
2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid
CID 42859169
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]-3-methylbutanamide
CID 46052576
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 46052424
2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide
CID 42852958
N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107020688
N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide
CID 46052704

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide (CID 46052683) is N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide is Cc1cccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)N(C)Cc3ccccc3)cc2)c1.
What is the InChIKey of N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide?
The InChIKey is XXUONPDXPBWNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3/c1-22-8-6-11-25(18-22)21-31(29(33)27-12-7-17-34-27)26-15-13-23(14-16-26)19-28(32)30(2)20-24-9-4-3-5-10-24/h3-18H,19-21H2,1-2H3.
What are the key properties of N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide?
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide has a molecular weight of 452.55 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 46052683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).