1-benzyl-N,N-dipropylindole-2-carboxamide

C22H26N2O — CID 69461033

IUPAC1-benzyl-N,N-dipropylindole-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C22H26N2O/c1-3-14-23(15-4-2)22(25)21-16-19-12-8-9-13-20(19)24(21)17-18-10-6-5-7-11-18/h5-13,16H,3-4,14-15,17H2,1-2H3
InChIKeyVAXKNZBPXABAAX-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.95
Rot. Bonds7

About 1-benzyl-N,N-dipropylindole-2-carboxamide

1-benzyl-N,N-dipropylindole-2-carboxamide (PubChem CID 69461033) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-benzyl-N,N-dipropylindole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N,N-dipropylindole-2-carboxamide
PubChem CID69461033
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-benzyl-N,N-dipropylindole-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C22H26N2O/c1-3-14-23(15-4-2)22(25)21-16-19-12-8-9-13-20(19)24(21)17-18-10-6-5-7-11-18/h5-13,16H,3-4,14-15,17H2,1-2H3
InChIKeyVAXKNZBPXABAAX-UHFFFAOYSA-N
XLogP4.95
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[(4-chlorophenyl)methyl]-N-propylindole-2-carboxamide
CID 69114086
1-[(3-chlorophenyl)methyl]indole-2-carboxylic acid
CID 22310877
1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 86877683
1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide
CID 78888011
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide
CID 60511957
2-[di(pyrrol-1-yl)amino]ethyl 1-benzylindole-2-carboxylate
CID 57340203
1-[(3-carbamothioylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 18327666
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 29140119
1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide
CID 51361856
(1-benzylindol-2-yl)-triethylsilane
CID 90095967

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,N-dipropylindole-2-carboxamide?
The IUPAC name of 1-benzyl-N,N-dipropylindole-2-carboxamide (CID 69461033) is 1-benzyl-N,N-dipropylindole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N,N-dipropylindole-2-carboxamide?
The canonical SMILES for 1-benzyl-N,N-dipropylindole-2-carboxamide is CCCN(CCC)C(=O)c1cc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N,N-dipropylindole-2-carboxamide?
The InChIKey is VAXKNZBPXABAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-3-14-23(15-4-2)22(25)21-16-19-12-8-9-13-20(19)24(21)17-18-10-6-5-7-11-18/h5-13,16H,3-4,14-15,17H2,1-2H3.
What are the key properties of 1-benzyl-N,N-dipropylindole-2-carboxamide?
1-benzyl-N,N-dipropylindole-2-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,N-dipropylindole-2-carboxamide is sourced from PubChem (CID 69461033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).