(4-methoxyphenyl) N-[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl]carbamate

C20H16N2O4 — CID 91712274

IUPAC(4-methoxyphenyl) N-[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl]carbamate
SMILESCOc1ccc(OC(=O)Nc2ccc(N=C3C=CC(=O)C=C3)cc2)cc1
InChIInChI=1S/C20H16N2O4/c1-25-18-10-12-19(13-11-18)26-20(24)22-16-4-2-14(3-5-16)21-15-6-8-17(23)9-7-15/h2-13H,1H3,(H,22,24)
InChIKeyGPRIKZVNMIAGSB-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.07
Rot. Bonds4

About (4-methoxyphenyl) N-[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl]carbamate

(4-methoxyphenyl) N-[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl]carbamate (PubChem CID 91712274) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is (4-methoxyphenyl) N-[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl) N-[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl]carbamate
PubChem CID91712274
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name(4-methoxyphenyl) N-[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl]carbamate
SMILESCOc1ccc(OC(=O)Nc2ccc(N=C3C=CC(=O)C=C3)cc2)cc1
InChIInChI=1S/C20H16N2O4/c1-25-18-10-12-19(13-11-18)26-20(24)22-16-4-2-14(3-5-16)21-15-6-8-17(23)9-7-15/h2-13H,1H3,(H,22,24)
InChIKeyGPRIKZVNMIAGSB-UHFFFAOYSA-N
XLogP4.07
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 58520229
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1,3-bis(4-methoxyphenyl)urea
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1,2,3-tris(4-methoxyphenyl)guanidine
CID 12737122
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
(4-methoxyphenyl) N-(3-aminophenyl)carbamate
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(3,5-dimethoxyphenyl) N-phenylcarbamate
CID 23281948
[4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate
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(4-methoxyphenyl)carbamothioic S-acid
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(4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate
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copper bis(2-(4-methoxyanilino)-2-oxoacetate)
CID 52913680
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CID 88785543

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl]carbamate?
The IUPAC name of (4-methoxyphenyl) N-[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl]carbamate (CID 91712274) is (4-methoxyphenyl) N-[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl]carbamate.
What is the SMILES notation for (4-methoxyphenyl) N-[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl]carbamate?
The canonical SMILES for (4-methoxyphenyl) N-[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl]carbamate is COc1ccc(OC(=O)Nc2ccc(N=C3C=CC(=O)C=C3)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl) N-[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl]carbamate?
The InChIKey is GPRIKZVNMIAGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-25-18-10-12-19(13-11-18)26-20(24)22-16-4-2-14(3-5-16)21-15-6-8-17(23)9-7-15/h2-13H,1H3,(H,22,24).
What are the key properties of (4-methoxyphenyl) N-[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl]carbamate?
(4-methoxyphenyl) N-[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl]carbamate has a molecular weight of 348.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl]carbamate is sourced from PubChem (CID 91712274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).