N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide

C23H23N3O6 — CID 4788258

IUPACN-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1OC
InChIInChI=1S/C23H23N3O6/c1-4-31-18-10-9-16(13-20(18)30-3)22(28)26-25-21(27)15-8-7-14(2)17(12-15)24-23(29)19-6-5-11-32-19/h5-13H,4H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyYSBUZVSVSSVQHF-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.32
Rot. Bonds7

About N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 4788258) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID4788258
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC NameN-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1OC
InChIInChI=1S/C23H23N3O6/c1-4-31-18-10-9-16(13-20(18)30-3)22(28)26-25-21(27)15-8-7-14(2)17(12-15)24-23(29)19-6-5-11-32-19/h5-13H,4H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyYSBUZVSVSSVQHF-UHFFFAOYSA-N
XLogP3.32
TPSA118.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 8901422
N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 27843323
N-[5-[1-(2-methoxy-5-methylphenyl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78813140
N-[5-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41309194
N'-(3-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 9476415
N-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4795361
N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide
CID 9476382
N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148221
N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
CID 2212927
N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 17475602
N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide
CID 1015959
N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 37398643

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 4788258) is N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide is CCOc1ccc(C(=O)NNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1OC.
What is the InChIKey of N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is YSBUZVSVSSVQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-4-31-18-10-9-16(13-20(18)30-3)22(28)26-25-21(27)15-8-7-14(2)17(12-15)24-23(29)19-6-5-11-32-19/h5-13H,4H2,1-3H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 4788258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).