(4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate

C25H26N4O4 — CID 6382636

IUPAC(4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate
SMILESCOc1ccc(COC(=O)N/N=C(/C)CC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N4O4/c1-18(28-29-25(31)33-17-19-8-14-23(32-2)15-9-19)16-24(30)27-22-12-10-21(11-13-22)26-20-6-4-3-5-7-20/h3-15,26H,16-17H2,1-2H3,(H,27,30)(H,29,31)/b28-18-
InChIKeyUAZLFAXAZVBKLQ-VEILYXNESA-N
MW446.51 g/mol
LogP5.07
Rot. Bonds9

About (4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate

(4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate (PubChem CID 6382636) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate
PubChem CID6382636
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name(4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate
SMILESCOc1ccc(COC(=O)N/N=C(/C)CC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N4O4/c1-18(28-29-25(31)33-17-19-8-14-23(32-2)15-9-19)16-24(30)27-22-12-10-21(11-13-22)26-20-6-4-3-5-7-20/h3-15,26H,16-17H2,1-2H3,(H,27,30)(H,29,31)/b28-18-
InChIKeyUAZLFAXAZVBKLQ-VEILYXNESA-N
XLogP5.07
TPSA101.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate with MolForge

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Related Compounds

(4-methoxyphenyl)methyl N-[(Z)-[4-(benzylamino)-4-oxobutan-2-ylidene]amino]carbamate
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(4-methoxyphenyl)methyl N-[[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]carbamate
CID 4247704
N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide
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(3Z)-N-(4-methoxyphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
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benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
N'-[[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide
CID 3976663
(3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide
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(4-methoxyphenyl)methyl N-[[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]carbamate
CID 2876720
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
(4-methoxyphenyl)methyl N-[(E)-[4-(2-methyl-5-nitroanilino)-4-oxobutan-2-ylidene]amino]carbamate
CID 46501559

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate (CID 6382636) is (4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate is COc1ccc(COC(=O)N/N=C(/C)CC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate?
The InChIKey is UAZLFAXAZVBKLQ-VEILYXNESA-N. The full InChI is InChI=1S/C25H26N4O4/c1-18(28-29-25(31)33-17-19-8-14-23(32-2)15-9-19)16-24(30)27-22-12-10-21(11-13-22)26-20-6-4-3-5-7-20/h3-15,26H,16-17H2,1-2H3,(H,27,30)(H,29,31)/b28-18-.
What are the key properties of (4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate?
(4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate has a molecular weight of 446.51 g/mol, XLogP of 5.07, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate is sourced from PubChem (CID 6382636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).