N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide

C20H22N2O — CID 113205582

IUPACN-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C20H22N2O/c1-15(2)22(13-16-9-5-4-6-10-16)20(23)18-14-21(3)19-12-8-7-11-17(18)19/h4-12,14-15H,13H2,1-3H3
InChIKeyZYIQUOMGFZAVMO-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.23
Rot. Bonds4

About N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide

N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide (PubChem CID 113205582) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide
PubChem CID113205582
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C20H22N2O/c1-15(2)22(13-16-9-5-4-6-10-16)20(23)18-14-21(3)19-12-8-7-11-17(18)19/h4-12,14-15H,13H2,1-3H3
InChIKeyZYIQUOMGFZAVMO-UHFFFAOYSA-N
XLogP4.23
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide
CID 113207712
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CID 174330316
2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid
CID 63650839
1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione
CID 153181750
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391
N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide
CID 42785998
2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 4918878
1-methyl-N,N-dipropylindole-3-carboxamide
CID 110762474
1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide
CID 113212758
N-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide
CID 118928461
N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide
CID 62509539
N-benzyl-3-methyl-4-oxo-N-propan-2-ylphthalazine-1-carboxamide
CID 18143283

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide?
The IUPAC name of N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide (CID 113205582) is N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide?
The canonical SMILES for N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cn(C)c2ccccc12.
What is the InChIKey of N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide?
The InChIKey is ZYIQUOMGFZAVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-15(2)22(13-16-9-5-4-6-10-16)20(23)18-14-21(3)19-12-8-7-11-17(18)19/h4-12,14-15H,13H2,1-3H3.
What are the key properties of N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide?
N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 113205582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).