2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide

C20H23N3O2 — CID 7933100

IUPAC2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide
SMILESCOc1ccc(NCC(=O)N/N=C2/CCCCc3ccccc32)cc1
InChIInChI=1S/C20H23N3O2/c1-25-17-12-10-16(11-13-17)21-14-20(24)23-22-19-9-5-3-7-15-6-2-4-8-18(15)19/h2,4,6,8,10-13,21H,3,5,7,9,14H2,1H3,(H,23,24)/b22-19-
InChIKeyGEAQYFUYSUFWJT-QOCHGBHMSA-N
MW337.42 g/mol
LogP3.35
Rot. Bonds5

About 2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide

2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide (PubChem CID 7933100) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide
PubChem CID7933100
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide
SMILESCOc1ccc(NCC(=O)N/N=C2/CCCCc3ccccc32)cc1
InChIInChI=1S/C20H23N3O2/c1-25-17-12-10-16(11-13-17)21-14-20(24)23-22-19-9-5-3-7-15-6-2-4-8-18(15)19/h2,4,6,8,10-13,21H,3,5,7,9,14H2,1H3,(H,23,24)/b22-19-
InChIKeyGEAQYFUYSUFWJT-QOCHGBHMSA-N
XLogP3.35
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.35
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(2-methoxyanilino)acetamide
CID 6071350
N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide
CID 7933106
3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide
CID 3893125
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-naphthalen-2-yloxyacetamide
CID 968751
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
CID 5395791
2-(4-tert-butylphenoxy)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide
CID 7929753
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 5191870
[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
CID 2807504
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide
CID 6031534
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide
CID 968541
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide
CID 4097852

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide (CID 7933100) is 2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide is COc1ccc(NCC(=O)N/N=C2/CCCCc3ccccc32)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide?
The InChIKey is GEAQYFUYSUFWJT-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-25-17-12-10-16(11-13-17)21-14-20(24)23-22-19-9-5-3-7-15-6-2-4-8-18(15)19/h2,4,6,8,10-13,21H,3,5,7,9,14H2,1H3,(H,23,24)/b22-19-.
What are the key properties of 2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide?
2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide has a molecular weight of 337.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide is sourced from PubChem (CID 7933100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).