N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide

C19H19N3O — CID 135420145

IUPACN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide
SMILESCc1[nH]c2ccccc2c1/C=N/NC(=O)CCc1ccccc1
InChIInChI=1S/C19H19N3O/c1-14-17(16-9-5-6-10-18(16)21-14)13-20-22-19(23)12-11-15-7-3-2-4-8-15/h2-10,13,21H,11-12H2,1H3,(H,22,23)/b20-13+
InChIKeyLPHUAEHECXGDPQ-DEDYPNTBSA-N
MW305.38 g/mol
LogP3.56
Rot. Bonds5

About N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide

N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide (PubChem CID 135420145) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide
PubChem CID135420145
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide
SMILESCc1[nH]c2ccccc2c1/C=N/NC(=O)CCc1ccccc1
InChIInChI=1S/C19H19N3O/c1-14-17(16-9-5-6-10-18(16)21-14)13-20-22-19(23)12-11-15-7-3-2-4-8-15/h2-10,13,21H,11-12H2,1H3,(H,22,23)/b20-13+
InChIKeyLPHUAEHECXGDPQ-DEDYPNTBSA-N
XLogP3.56
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.56
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

2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 968085
3-(benzotriazol-1-yl)-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]propanamide
CID 135659012
2-(4-methoxyanilino)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 136899315
2-(3,4-dimethylphenoxy)-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135569427
2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135922503
2-(4-bromo-2,6-dimethylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 4660446
ethyl N-[(1S)-3-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-3-oxo-1-phenylpropyl]carbamate
CID 137127339
N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide
CID 5338610
(1S)-2,2-dibromo-1-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]cyclopropane-1-carboxamide
CID 135682606
2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135419996
N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide
CID 5418164
1-ethyl-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]thiourea
CID 135846336

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide (CID 135420145) is N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide is Cc1[nH]c2ccccc2c1/C=N/NC(=O)CCc1ccccc1.
What is the InChIKey of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide?
The InChIKey is LPHUAEHECXGDPQ-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-17(16-9-5-6-10-18(16)21-14)13-20-22-19(23)12-11-15-7-3-2-4-8-15/h2-10,13,21H,11-12H2,1H3,(H,22,23)/b20-13+.
What are the key properties of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide?
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide has a molecular weight of 305.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 135420145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).