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

C16H19N3O2 — CID 86925978

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCC(=O)NC1CC1
InChIInChI=1S/C16H19N3O2/c1-10-13(12-4-2-3-5-14(12)18-10)8-15(20)17-9-16(21)19-11-6-7-11/h2-5,11,18H,6-9H2,1H3,(H,17,20)(H,19,21)
InChIKeyGUNBBBUHXLXRIQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.41
Rot. Bonds5

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

N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 86925978) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID86925978
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCC(=O)NC1CC1
InChIInChI=1S/C16H19N3O2/c1-10-13(12-4-2-3-5-14(12)18-10)8-15(20)17-9-16(21)19-11-6-7-11/h2-5,11,18H,6-9H2,1H3,(H,17,20)(H,19,21)
InChIKeyGUNBBBUHXLXRIQ-UHFFFAOYSA-N
XLogP1.41
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.41
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

2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029
N-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 134005284
2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide
CID 115158454
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 18163674
2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 137200070
N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 47024255
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 65036979
N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 66175804
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31848406
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112990882

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide (CID 86925978) is N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)NCC(=O)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is GUNBBBUHXLXRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-13(12-4-2-3-5-14(12)18-10)8-15(20)17-9-16(21)19-11-6-7-11/h2-5,11,18H,6-9H2,1H3,(H,17,20)(H,19,21).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 86925978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).