4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide

C19H23N3O2 — CID 6380566

IUPAC4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide
SMILESCOc1ccc(NCCCC(=O)N/N=C(/C)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-15(16-7-4-3-5-8-16)21-22-19(23)9-6-14-20-17-10-12-18(24-2)13-11-17/h3-5,7-8,10-13,20H,6,9,14H2,1-2H3,(H,22,23)/b21-15-
InChIKeyZGPCADNQVUVHLE-QNGOZBTKSA-N
MW325.41 g/mol
LogP3.43
Rot. Bonds8

About 4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide

4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide (PubChem CID 6380566) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide.

Molecular Properties

Compound Name4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide
PubChem CID6380566
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide
SMILESCOc1ccc(NCCCC(=O)N/N=C(/C)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-15(16-7-4-3-5-8-16)21-22-19(23)9-6-14-20-17-10-12-18(24-2)13-11-17/h3-5,7-8,10-13,20H,6,9,14H2,1-2H3,(H,22,23)/b21-15-
InChIKeyZGPCADNQVUVHLE-QNGOZBTKSA-N
XLogP3.43
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide
CID 3411990
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide
CID 102095351
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide
CID 6052542
4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide
CID 3489457
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide
CID 17340092
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide
CID 5192074
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 136742559
2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5421634
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
(2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide
CID 5403118

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide?
The IUPAC name of 4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide (CID 6380566) is 4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide.
What is the SMILES notation for 4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide?
The canonical SMILES for 4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide is COc1ccc(NCCCC(=O)N/N=C(/C)c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide?
The InChIKey is ZGPCADNQVUVHLE-QNGOZBTKSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15(16-7-4-3-5-8-16)21-22-19(23)9-6-14-20-17-10-12-18(24-2)13-11-17/h3-5,7-8,10-13,20H,6,9,14H2,1-2H3,(H,22,23)/b21-15-.
What are the key properties of 4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide?
4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide has a molecular weight of 325.41 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide is sourced from PubChem (CID 6380566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).