2-(4-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide

C21H23N3O — CID 6376216

IUPAC2-(4-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
SMILESCC(/C=C/C=C/c1ccccc1)=N/NC(=O)CNc1ccc(C)cc1
InChIInChI=1S/C21H23N3O/c1-17-12-14-20(15-13-17)22-16-21(25)24-23-18(2)8-6-7-11-19-9-4-3-5-10-19/h3-15,22H,16H2,1-2H3,(H,24,25)/b8-6+,11-7+,23-18-
InChIKeyDMOUOCQUMBMMJH-DNBJZMSNSA-N
MW333.44 g/mol
LogP4.17
Rot. Bonds7

About 2-(4-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide

2-(4-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide (PubChem CID 6376216) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
PubChem CID6376216
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-(4-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
SMILESCC(/C=C/C=C/c1ccccc1)=N/NC(=O)CNc1ccc(C)cc1
InChIInChI=1S/C21H23N3O/c1-17-12-14-20(15-13-17)22-16-21(25)24-23-18(2)8-6-7-11-19-9-4-3-5-10-19/h3-15,22H,16H2,1-2H3,(H,24,25)/b8-6+,11-7+,23-18-
InChIKeyDMOUOCQUMBMMJH-DNBJZMSNSA-N
XLogP4.17
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide?
The IUPAC name of 2-(4-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide (CID 6376216) is 2-(4-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide.
What is the SMILES notation for 2-(4-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide?
The canonical SMILES for 2-(4-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide is CC(/C=C/C=C/c1ccccc1)=N/NC(=O)CNc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide?
The InChIKey is DMOUOCQUMBMMJH-DNBJZMSNSA-N. The full InChI is InChI=1S/C21H23N3O/c1-17-12-14-20(15-13-17)22-16-21(25)24-23-18(2)8-6-7-11-19-9-4-3-5-10-19/h3-15,22H,16H2,1-2H3,(H,24,25)/b8-6+,11-7+,23-18-.
What are the key properties of 2-(4-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide?
2-(4-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide has a molecular weight of 333.44 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide is sourced from PubChem (CID 6376216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).