N-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide

C19H20N2O — CID 25147674

IUPACN-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide
SMILESCN(CCCc1ccccc1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H20N2O/c1-21(13-7-10-15-8-3-2-4-9-15)19(22)18-14-16-11-5-6-12-17(16)20-18/h2-6,8-9,11-12,14,20H,7,10,13H2,1H3
InChIKeyBLVCQEQYUJYJDJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.87
Rot. Bonds5

About N-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide

N-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide (PubChem CID 25147674) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide
PubChem CID25147674
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide
SMILESCN(CCCc1ccccc1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H20N2O/c1-21(13-7-10-15-8-3-2-4-9-15)19(22)18-14-16-11-5-6-12-17(16)20-18/h2-6,8-9,11-12,14,20H,7,10,13H2,1H3
InChIKeyBLVCQEQYUJYJDJ-UHFFFAOYSA-N
XLogP3.87
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide (CID 25147674) is N-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide is CN(CCCc1ccccc1)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide?
The InChIKey is BLVCQEQYUJYJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-21(13-7-10-15-8-3-2-4-9-15)19(22)18-14-16-11-5-6-12-17(16)20-18/h2-6,8-9,11-12,14,20H,7,10,13H2,1H3.
What are the key properties of N-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide?
N-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 25147674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).