2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide

C16H22N2O — CID 43583126

IUPAC2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide
SMILESCCCN(C(=O)Cc1c[nH]c2ccccc12)C(C)C
InChIInChI=1S/C16H22N2O/c1-4-9-18(12(2)3)16(19)10-13-11-17-15-8-6-5-7-14(13)15/h5-8,11-12,17H,4,9-10H2,1-3H3
InChIKeyTZZMSKQSPNSDDW-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.36
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide

2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide (PubChem CID 43583126) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide
PubChem CID43583126
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide
SMILESCCCN(C(=O)Cc1c[nH]c2ccccc12)C(C)C
InChIInChI=1S/C16H22N2O/c1-4-9-18(12(2)3)16(19)10-13-11-17-15-8-6-5-7-14(13)15/h5-8,11-12,17H,4,9-10H2,1-3H3
InChIKeyTZZMSKQSPNSDDW-UHFFFAOYSA-N
XLogP3.36
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82960282
2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692080
N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide
CID 47042094
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
N-(2-amino-2-oxoethyl)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 43397899
N-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide
CID 47268305
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 24707532
2-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 25161690
N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide
CID 4620268
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide (CID 43583126) is 2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide is CCCN(C(=O)Cc1c[nH]c2ccccc12)C(C)C.
What is the InChIKey of 2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide?
The InChIKey is TZZMSKQSPNSDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-9-18(12(2)3)16(19)10-13-11-17-15-8-6-5-7-14(13)15/h5-8,11-12,17H,4,9-10H2,1-3H3.
What are the key properties of 2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide?
2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide has a molecular weight of 258.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide is sourced from PubChem (CID 43583126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).