N-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide

C16H19N3O — CID 47268305

IUPACN-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide
SMILESCCN(CC(C)C#N)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O/c1-3-19(11-12(2)9-17)16(20)8-13-10-18-15-7-5-4-6-14(13)15/h4-7,10,12,18H,3,8,11H2,1-2H3
InChIKeyFCUPTGOZBAHINO-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.72
Rot. Bonds5

About N-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide

N-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide (PubChem CID 47268305) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide
PubChem CID47268305
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide
SMILESCCN(CC(C)C#N)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O/c1-3-19(11-12(2)9-17)16(20)8-13-10-18-15-7-5-4-6-14(13)15/h4-7,10,12,18H,3,8,11H2,1-2H3
InChIKeyFCUPTGOZBAHINO-UHFFFAOYSA-N
XLogP2.72
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide
CID 43583126
2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692080
[2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960168
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)propanamide
CID 79380294
3-(1H-indol-3-ylmethylamino)-2-methylpropanenitrile
CID 62646036
2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile
CID 115130271
N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide
CID 60961087
2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide
CID 87013152
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 24707532
2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82960282
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide (CID 47268305) is N-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide is CCN(CC(C)C#N)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide?
The InChIKey is FCUPTGOZBAHINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-19(11-12(2)9-17)16(20)8-13-10-18-15-7-5-4-6-14(13)15/h4-7,10,12,18H,3,8,11H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide?
N-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide has a molecular weight of 269.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 47268305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).