N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide

C24H24N4O6 — CID 40836631

IUPACN-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H24N4O6/c1-3-18(23(31)28-27-21(29)15-10-12-16(33-2)13-11-15)25-22(30)17-7-4-5-8-19(17)26-24(32)20-9-6-14-34-20/h4-14,18H,3H2,1-2H3,(H,25,30)(H,26,32)(H,27,29)(H,28,31)/t18-/m1/s1
InChIKeyLOBDOQXYKAHAON-GOSISDBHSA-N
MW464.48 g/mol
LogP2.51
Rot. Bonds8

About N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide

N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 40836631) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID40836631
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC NameN-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H24N4O6/c1-3-18(23(31)28-27-21(29)15-10-12-16(33-2)13-11-15)25-22(30)17-7-4-5-8-19(17)26-24(32)20-9-6-14-34-20/h4-14,18H,3H2,1-2H3,(H,25,30)(H,26,32)(H,27,29)(H,28,31)/t18-/m1/s1
InChIKeyLOBDOQXYKAHAON-GOSISDBHSA-N
XLogP2.51
TPSA138.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 27442036
(2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate
CID 7430265
N-[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1112023
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722971
N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 2930202
N-[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 17440926
methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7033926
N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 9476897
2-[(4-methoxybenzoyl)amino]-N-[1-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3123973
(2R,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoic acid
CID 829507
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002
(2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7035399

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide (CID 40836631) is N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide is CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is LOBDOQXYKAHAON-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-3-18(23(31)28-27-21(29)15-10-12-16(33-2)13-11-15)25-22(30)17-7-4-5-8-19(17)26-24(32)20-9-6-14-34-20/h4-14,18H,3H2,1-2H3,(H,25,30)(H,26,32)(H,27,29)(H,28,31)/t18-/m1/s1.
What are the key properties of N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 2.51, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 40836631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).