N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide

C19H20N2O — CID 13101578

IUPACN-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide
SMILESCC(CNC(=O)c1ccccc1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H20N2O/c1-14(12-21-19(22)15-7-3-2-4-8-15)11-16-13-20-18-10-6-5-9-17(16)18/h2-10,13-14,20H,11-12H2,1H3,(H,21,22)
InChIKeyWFBDPLWWSTZXJW-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.78
Rot. Bonds5

About N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide

N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide (PubChem CID 13101578) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide
PubChem CID13101578
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide
SMILESCC(CNC(=O)c1ccccc1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H20N2O/c1-14(12-21-19(22)15-7-3-2-4-8-15)11-16-13-20-18-10-6-5-9-17(16)18/h2-10,13-14,20H,11-12H2,1H3,(H,21,22)
InChIKeyWFBDPLWWSTZXJW-UHFFFAOYSA-N
XLogP3.78
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide
CID 582713
2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 19078905
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide
CID 3677874
N-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 11748904
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide?
The IUPAC name of N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide (CID 13101578) is N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide is CC(CNC(=O)c1ccccc1)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide?
The InChIKey is WFBDPLWWSTZXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14(12-21-19(22)15-7-3-2-4-8-15)11-16-13-20-18-10-6-5-9-17(16)18/h2-10,13-14,20H,11-12H2,1H3,(H,21,22).
What are the key properties of N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide?
N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide is sourced from PubChem (CID 13101578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).