N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide

C18H17N3O — CID 172980542

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17N3O/c1-13-6-8-14(9-7-13)10-18(22)21-20-12-15-11-19-17-5-3-2-4-16(15)17/h2-9,11-12,19H,10H2,1H3,(H,21,22)/b20-12+
InChIKeyAMVRMBRVPAADQN-UDWIEESQSA-N
MW291.35 g/mol
LogP3.17
Rot. Bonds4

About N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide

N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide (PubChem CID 172980542) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
PubChem CID172980542
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17N3O/c1-13-6-8-14(9-7-13)10-18(22)21-20-12-15-11-19-17-5-3-2-4-16(15)17/h2-9,11-12,19H,10H2,1H3,(H,21,22)/b20-12+
InChIKeyAMVRMBRVPAADQN-UDWIEESQSA-N
XLogP3.17
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 1391069
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-4-oxobutanamide
CID 172933261
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 136612344
N-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 136664551
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 5411943
N-(1H-indol-3-ylmethylideneamino)hexadecanamide
CID 136905846
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135627906
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide
CID 3422533
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 135627903
1-(1H-indol-3-ylmethylideneamino)-3-(4-methylphenyl)thiourea
CID 910437

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide (CID 172980542) is N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)N/N=C/c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide?
The InChIKey is AMVRMBRVPAADQN-UDWIEESQSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-6-8-14(9-7-13)10-18(22)21-20-12-15-11-19-17-5-3-2-4-16(15)17/h2-9,11-12,19H,10H2,1H3,(H,21,22)/b20-12+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 172980542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).