N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide

C25H27N3O4 — CID 38685034

IUPACN-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C25H27N3O4/c1-4-13-28(16-23(29)26-20-9-6-5-8-17(20)2)25(31)19-12-11-18(3)21(15-19)27-24(30)22-10-7-14-32-22/h5-12,14-15H,4,13,16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyYALYGNLOSUENKE-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.64
Rot. Bonds8

About N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide

N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 38685034) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID38685034
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C25H27N3O4/c1-4-13-28(16-23(29)26-20-9-6-5-8-17(20)2)25(31)19-12-11-18(3)21(15-19)27-24(30)22-10-7-14-32-22/h5-12,14-15H,4,13,16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyYALYGNLOSUENKE-UHFFFAOYSA-N
XLogP4.64
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51143508
N-[5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 9437515
N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
CID 55874564
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 25163517
3-benzamido-4-methyl-N,N-dipropylbenzamide
CID 17226384
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indene-5-carboxamide
CID 38685975
N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
N-[5-[methoxy(methyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148992
N-[5-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 112794246
N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide
CID 38676277
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide (CID 38685034) is N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is YALYGNLOSUENKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-4-13-28(16-23(29)26-20-9-6-5-8-17(20)2)25(31)19-12-11-18(3)21(15-19)27-24(30)22-10-7-14-32-22/h5-12,14-15H,4,13,16H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide?
N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 38685034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).