N-[2-methyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]furan-2-carboxamide

C25H26N2O3 — CID 24571372

IUPACN-[2-methyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C25H26N2O3/c1-18-11-12-19(16-21(18)27-24(29)22-10-7-15-30-22)23(28)26-17-25(13-5-6-14-25)20-8-3-2-4-9-20/h2-4,7-12,15-16H,5-6,13-14,17H2,1H3,(H,26,28)(H,27,29)
InChIKeyHKEBPZJUPPVECT-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.08
Rot. Bonds6

About N-[2-methyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]furan-2-carboxamide

N-[2-methyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 24571372) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[2-methyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID24571372
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[2-methyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C25H26N2O3/c1-18-11-12-19(16-21(18)27-24(29)22-10-7-15-30-22)23(28)26-17-25(13-5-6-14-25)20-8-3-2-4-9-20/h2-4,7-12,15-16H,5-6,13-14,17H2,1H3,(H,26,28)(H,27,29)
InChIKeyHKEBPZJUPPVECT-UHFFFAOYSA-N
XLogP5.08
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51273057
1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539605
N-[4-[[1-(4-fluorophenyl)cyclopentyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55843746
methyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate
CID 30373031
N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18157076
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-[5-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51158750
N-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 120944606
N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41276141
N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41130825

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]furan-2-carboxamide (CID 24571372) is N-[2-methyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]furan-2-carboxamide is Cc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-methyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is HKEBPZJUPPVECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18-11-12-19(16-21(18)27-24(29)22-10-7-15-30-22)23(28)26-17-25(13-5-6-14-25)20-8-3-2-4-9-20/h2-4,7-12,15-16H,5-6,13-14,17H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-methyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[2-methyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 24571372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).