2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide

C15H19N3O — CID 115158454

IUPAC2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide
SMILESCc1[nH]c2ccccc2c1CNC(=O)CNC1CC1
InChIInChI=1S/C15H19N3O/c1-10-13(12-4-2-3-5-14(12)18-10)8-17-15(19)9-16-11-6-7-11/h2-5,11,16,18H,6-9H2,1H3,(H,17,19)
InChIKeyNNMFKMKVDWIJTG-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.84
Rot. Bonds5

About 2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide

2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide (PubChem CID 115158454) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide
PubChem CID115158454
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide
SMILESCc1[nH]c2ccccc2c1CNC(=O)CNC1CC1
InChIInChI=1S/C15H19N3O/c1-10-13(12-4-2-3-5-14(12)18-10)8-17-15(19)9-16-11-6-7-11/h2-5,11,16,18H,6-9H2,1H3,(H,17,19)
InChIKeyNNMFKMKVDWIJTG-UHFFFAOYSA-N
XLogP1.84
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methyl-1H-indol-3-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65054581
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 86925978
methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782329
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115155288
1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide
CID 110794090
N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
CID 110782317
phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782331
1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
CID 110775099
5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide
CID 110794088
N-benzyl-2-[(4-hydroxycyclohexyl)amino]acetamide
CID 103601287
N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide
CID 110782300

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide (CID 115158454) is 2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide is Cc1[nH]c2ccccc2c1CNC(=O)CNC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide?
The InChIKey is NNMFKMKVDWIJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-13(12-4-2-3-5-14(12)18-10)8-17-15(19)9-16-11-6-7-11/h2-5,11,16,18H,6-9H2,1H3,(H,17,19).
What are the key properties of 2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide?
2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide has a molecular weight of 257.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide is sourced from PubChem (CID 115158454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).