N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide

C17H17N3O — CID 43247265

IUPACN-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide
SMILESCc1c(N)cccc1NC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C17H17N3O/c1-12-14(18)6-4-7-15(12)19-17(21)11-20-10-9-13-5-2-3-8-16(13)20/h2-10H,11,18H2,1H3,(H,19,21)
InChIKeyANPVULKXLKWBFX-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.17
Rot. Bonds3

About N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide

N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide (PubChem CID 43247265) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide
PubChem CID43247265
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide
SMILESCc1c(N)cccc1NC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C17H17N3O/c1-12-14(18)6-4-7-15(12)19-17(21)11-20-10-9-13-5-2-3-8-16(13)20/h2-10H,11,18H2,1H3,(H,19,21)
InChIKeyANPVULKXLKWBFX-UHFFFAOYSA-N
XLogP3.17
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide
CID 43376298
N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141857
N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide
CID 61402207
N-(2-amino-5-fluorophenyl)-2-indol-1-ylacetamide
CID 43611958
N-(3-amino-2-methylphenyl)-2-(4-oxo-1-pyridinyl)acetamide
CID 62880154
N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206392
(3-amino-2-methylphenyl)urea
CID 16770559
N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198911
N-(2-aminophenyl)-2-(4-fluoroindol-1-yl)acetamide
CID 82782601
5-[(2-indol-1-ylacetyl)amino]-2,4-dimethylbenzoic acid
CID 138043722
N-(3-amino-2-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62851005
N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide
CID 43134811

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide (CID 43247265) is N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide is Cc1c(N)cccc1NC(=O)Cn1ccc2ccccc21.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide?
The InChIKey is ANPVULKXLKWBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-14(18)6-4-7-15(12)19-17(21)11-20-10-9-13-5-2-3-8-16(13)20/h2-10H,11,18H2,1H3,(H,19,21).
What are the key properties of N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide?
N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide has a molecular weight of 279.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide is sourced from PubChem (CID 43247265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).