N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide

C25H26N2O3 — CID 46052424

IUPACN-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCC3CC3)cc2)cc1
InChIInChI=1S/C25H26N2O3/c1-18-4-6-21(7-5-18)17-27(25(29)23-3-2-14-30-23)22-12-10-19(11-13-22)15-24(28)26-16-20-8-9-20/h2-7,10-14,20H,8-9,15-17H2,1H3,(H,26,28)
InChIKeyVIWAISQORMBPLA-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.50
Rot. Bonds8

About N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide

N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide (PubChem CID 46052424) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
PubChem CID46052424
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCC3CC3)cc2)cc1
InChIInChI=1S/C25H26N2O3/c1-18-4-6-21(7-5-18)17-27(25(29)23-3-2-14-30-23)22-12-10-19(11-13-22)15-24(28)26-16-20-8-9-20/h2-7,10-14,20H,8-9,15-17H2,1H3,(H,26,28)
InChIKeyVIWAISQORMBPLA-UHFFFAOYSA-N
XLogP4.50
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46052438
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
CID 46052446
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46045761
N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide
CID 92987128
N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 46045640
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(cyclopropylmethyl)acetamide
CID 46160677
N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46052545
N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106124207
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 46046322
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
CID 42852835
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 46052683
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052353

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide (CID 46052424) is N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide is Cc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCC3CC3)cc2)cc1.
What is the InChIKey of N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
The InChIKey is VIWAISQORMBPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18-4-6-21(7-5-18)17-27(25(29)23-3-2-14-30-23)22-12-10-19(11-13-22)15-24(28)26-16-20-8-9-20/h2-7,10-14,20H,8-9,15-17H2,1H3,(H,26,28).
What are the key properties of N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 46052424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).