N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide

C19H20N2O — CID 113207051

IUPACN-benzyl-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H20N2O/c1-14(2)21(13-15-8-4-3-5-9-15)19(22)18-12-16-10-6-7-11-17(16)20-18/h3-12,14,20H,13H2,1-2H3
InChIKeyWHUNHYXMBIQPJQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.22
Rot. Bonds4

About N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide

N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 113207051) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-1H-indole-2-carboxamide
PubChem CID113207051
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-benzyl-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H20N2O/c1-14(2)21(13-15-8-4-3-5-9-15)19(22)18-12-16-10-6-7-11-17(16)20-18/h3-12,14,20H,13H2,1-2H3
InChIKeyWHUNHYXMBIQPJQ-UHFFFAOYSA-N
XLogP4.22
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide (CID 113207051) is N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide?
The InChIKey is WHUNHYXMBIQPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14(2)21(13-15-8-4-3-5-9-15)19(22)18-12-16-10-6-7-11-17(16)20-18/h3-12,14,20H,13H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide?
N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 113207051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).