N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide

C14H19N3O — CID 110833859

IUPACN-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCC(C)N
InChIInChI=1S/C14H19N3O/c1-9(15)8-16-14(18)7-12-10(2)17-13-6-4-3-5-11(12)13/h3-6,9,17H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyJAQWYDIBZBDGHN-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.48
Rot. Bonds4

About N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide

N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 110833859) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID110833859
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCC(C)N
InChIInChI=1S/C14H19N3O/c1-9(15)8-16-14(18)7-12-10(2)17-13-6-4-3-5-11(12)13/h3-6,9,17H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyJAQWYDIBZBDGHN-UHFFFAOYSA-N
XLogP1.48
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.48
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

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-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 81042798
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31886769
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 137200070
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31848406
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 86925978
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 103772449
methyl (2S,3S)-3-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pent-4-enoate
CID 97256616

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide (CID 110833859) is N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)NCC(C)N.
What is the InChIKey of N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is JAQWYDIBZBDGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(15)8-16-14(18)7-12-10(2)17-13-6-4-3-5-11(12)13/h3-6,9,17H,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 245.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 110833859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).