N-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide

C22H21N3O4 — CID 6387299

IUPACN-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(CC(=O)N/N=C(/C)c2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C22H21N3O4/c1-15(24-25-21(26)14-16-5-11-19(28-2)12-6-16)17-7-9-18(10-8-17)23-22(27)20-4-3-13-29-20/h3-13H,14H2,1-2H3,(H,23,27)(H,25,26)/b24-15-
InChIKeyJNTYXVBZINKCJU-IWIPYMOSSA-N
MW391.43 g/mol
LogP3.62
Rot. Bonds7

About N-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide

N-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide (PubChem CID 6387299) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
PubChem CID6387299
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(CC(=O)N/N=C(/C)c2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C22H21N3O4/c1-15(24-25-21(26)14-16-5-11-19(28-2)12-6-16)17-7-9-18(10-8-17)23-22(27)20-4-3-13-29-20/h3-13H,14H2,1-2H3,(H,23,27)(H,25,26)/b24-15-
InChIKeyJNTYXVBZINKCJU-IWIPYMOSSA-N
XLogP3.62
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 6187407
N-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
CID 5430437
N-[4-[N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4575514
N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 3790298
N-[1-(4-ethylphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4247577
N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
CID 3757889
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide
CID 9175372
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896
[4-(furan-2-carbonylamino)phenyl] acetate
CID 1262434
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 40568661
5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid
CID 7261370

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide (CID 6387299) is N-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide is COc1ccc(CC(=O)N/N=C(/C)c2ccc(NC(=O)c3ccco3)cc2)cc1.
What is the InChIKey of N-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The InChIKey is JNTYXVBZINKCJU-IWIPYMOSSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-15(24-25-21(26)14-16-5-11-19(28-2)12-6-16)17-7-9-18(10-8-17)23-22(27)20-4-3-13-29-20/h3-13H,14H2,1-2H3,(H,23,27)(H,25,26)/b24-15-.
What are the key properties of N-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
N-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 6387299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).