N-[2-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide

C20H17N3O5 — CID 137045088

IUPACN-[2-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1O
InChIInChI=1S/C20H17N3O5/c1-27-18-11-13(8-9-16(18)24)12-21-23-19(25)14-5-2-3-6-15(14)22-20(26)17-7-4-10-28-17/h2-12,24H,1H3,(H,22,26)(H,23,25)/b21-12-
InChIKeyMSBCYGPWXJNVJK-MTJSOVHGSA-N
MW379.37 g/mol
LogP3.01
Rot. Bonds6

About N-[2-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide

N-[2-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 137045088) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is N-[2-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID137045088
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC NameN-[2-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1O
InChIInChI=1S/C20H17N3O5/c1-27-18-11-13(8-9-16(18)24)12-21-23-19(25)14-5-2-3-6-15(14)22-20(26)17-7-4-10-28-17/h2-12,24H,1H3,(H,22,26)(H,23,25)/b21-12-
InChIKeyMSBCYGPWXJNVJK-MTJSOVHGSA-N
XLogP3.01
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide
CID 136739218
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135678576
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 135642156
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1389238
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 2828053
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 5049729
N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide
CID 126023583
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
2-[(4-chlorophenyl)methoxy]-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 4582846
N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 137101903
2-hydroxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6291203

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide (CID 137045088) is N-[2-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide is COc1cc(/C=N\NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1O.
What is the InChIKey of N-[2-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is MSBCYGPWXJNVJK-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-27-18-11-13(8-9-16(18)24)12-21-23-19(25)14-5-2-3-6-15(14)22-20(26)17-7-4-10-28-17/h2-12,24H,1H3,(H,22,26)(H,23,25)/b21-12-.
What are the key properties of N-[2-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide?
N-[2-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 137045088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).