[5-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]-4-phenylfuran-3-yl]methyl N-(2-phenylethyl)carbamate

C29H24N4O6 — CID 68865101

IUPAC[5-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]-4-phenylfuran-3-yl]methyl N-(2-phenylethyl)carbamate
SMILESN#Cc1cc(C(=O)NNC(=O)c2occ(COC(=O)NCCc3ccccc3)c2-c2ccccc2)ccc1O
InChIInChI=1S/C29H24N4O6/c30-16-22-15-21(11-12-24(22)34)27(35)32-33-28(36)26-25(20-9-5-2-6-10-20)23(17-38-26)18-39-29(37)31-14-13-19-7-3-1-4-8-19/h1-12,15,17,34H,13-14,18H2,(H,31,37)(H,32,35)(H,33,36)
InChIKeyCIAYYMUNMPMHNR-UHFFFAOYSA-N
MW524.53 g/mol
LogP4.07
Rot. Bonds8

About [5-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]-4-phenylfuran-3-yl]methyl N-(2-phenylethyl)carbamate

[5-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]-4-phenylfuran-3-yl]methyl N-(2-phenylethyl)carbamate (PubChem CID 68865101) has the molecular formula C29H24N4O6 and a molecular weight of 524.53 g/mol. Its IUPAC name is [5-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]-4-phenylfuran-3-yl]methyl N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name[5-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]-4-phenylfuran-3-yl]methyl N-(2-phenylethyl)carbamate
PubChem CID68865101
Molecular FormulaC29H24N4O6
Molecular Weight524.53 g/mol
Exact Mass524.17
IUPAC Name[5-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]-4-phenylfuran-3-yl]methyl N-(2-phenylethyl)carbamate
SMILESN#Cc1cc(C(=O)NNC(=O)c2occ(COC(=O)NCCc3ccccc3)c2-c2ccccc2)ccc1O
InChIInChI=1S/C29H24N4O6/c30-16-22-15-21(11-12-24(22)34)27(35)32-33-28(36)26-25(20-9-5-2-6-10-20)23(17-38-26)18-39-29(37)31-14-13-19-7-3-1-4-8-19/h1-12,15,17,34H,13-14,18H2,(H,31,37)(H,32,35)(H,33,36)
InChIKeyCIAYYMUNMPMHNR-UHFFFAOYSA-N
XLogP4.07
TPSA153.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.53
LogP ≤ 54.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [5-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]-4-phenylfuran-3-yl]methyl N-(2-phenylethyl)carbamate with MolForge

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Related Compounds

N'-(4-hydroxy-3-phenylbenzoyl)-3,4-diphenylfuran-2-carbohydrazide
CID 68863701
N'-(3-cyano-4-hydroxybenzoyl)-3,4-bis(4-fluorophenyl)furan-2-carbohydrazide
CID 68861297
N'-[3-(fluoromethyl)-4-hydroxybenzoyl]-3,4-diphenylfuran-2-carbohydrazide
CID 141073286
3,4-Diphenyl-2-furancarboxylic acid 2-(3-cyano-4-hydroxybenzoyl)hydrazide
CID 11517437
N'-(3-cyano-4-hydroxybenzoyl)-3-(3-phenoxyphenyl)furan-2-carbohydrazide
CID 11553951
N'-(3-cyano-4-hydroxybenzoyl)-3-[4-[(2,3,5,6-tetramethylphenyl)methoxy]phenyl]furan-2-carbohydrazide
CID 11555282
N'-(3-cyano-4-hydroxybenzoyl)-3-(3-phenylmethoxyphenyl)furan-2-carbohydrazide
CID 11662442
N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide
CID 11667386
N'-(3-cyano-4-hydroxybenzoyl)-3-[3-(2-phenylethoxy)phenyl]furan-2-carbohydrazide
CID 11719683
benzyl N-[3-[2-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]furan-3-yl]phenyl]carbamate
CID 67490322
3,4-Diphenyl-2-furancarboxylic acid 2-(4-acetoxy-3-cyanobenzoyl)hydrazide
CID 68860564
N'-(3-cyano-4-hydroxybenzoyl)-4-(2-phenylmethoxyphenyl)furan-2-carbohydrazide
CID 68860728

Frequently Asked Questions

What is the IUPAC name of [5-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]-4-phenylfuran-3-yl]methyl N-(2-phenylethyl)carbamate?
The IUPAC name of [5-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]-4-phenylfuran-3-yl]methyl N-(2-phenylethyl)carbamate (CID 68865101) is [5-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]-4-phenylfuran-3-yl]methyl N-(2-phenylethyl)carbamate.
What is the SMILES notation for [5-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]-4-phenylfuran-3-yl]methyl N-(2-phenylethyl)carbamate?
The canonical SMILES for [5-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]-4-phenylfuran-3-yl]methyl N-(2-phenylethyl)carbamate is N#Cc1cc(C(=O)NNC(=O)c2occ(COC(=O)NCCc3ccccc3)c2-c2ccccc2)ccc1O.
What is the InChIKey of [5-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]-4-phenylfuran-3-yl]methyl N-(2-phenylethyl)carbamate?
The InChIKey is CIAYYMUNMPMHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O6/c30-16-22-15-21(11-12-24(22)34)27(35)32-33-28(36)26-25(20-9-5-2-6-10-20)23(17-38-26)18-39-29(37)31-14-13-19-7-3-1-4-8-19/h1-12,15,17,34H,13-14,18H2,(H,31,37)(H,32,35)(H,33,36).
What are the key properties of [5-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]-4-phenylfuran-3-yl]methyl N-(2-phenylethyl)carbamate?
[5-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]-4-phenylfuran-3-yl]methyl N-(2-phenylethyl)carbamate has a molecular weight of 524.53 g/mol, XLogP of 4.07, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(3-cyano-4-hydroxybenzoyl)amino]carbamoyl]-4-phenylfuran-3-yl]methyl N-(2-phenylethyl)carbamate is sourced from PubChem (CID 68865101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).