3-(1H-indol-3-ylmethylamino)-N-methylbenzamide

C17H17N3O — CID 60681537

IUPAC3-(1H-indol-3-ylmethylamino)-N-methylbenzamide
SMILESCNC(=O)c1cccc(NCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H17N3O/c1-18-17(21)12-5-4-6-14(9-12)19-10-13-11-20-16-8-3-2-7-15(13)16/h2-9,11,19-20H,10H2,1H3,(H,18,21)
InChIKeyBGEPRTLKSICMBZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.14
Rot. Bonds4

About 3-(1H-indol-3-ylmethylamino)-N-methylbenzamide

3-(1H-indol-3-ylmethylamino)-N-methylbenzamide (PubChem CID 60681537) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethylamino)-N-methylbenzamide.

Molecular Properties

Compound Name3-(1H-indol-3-ylmethylamino)-N-methylbenzamide
PubChem CID60681537
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(1H-indol-3-ylmethylamino)-N-methylbenzamide
SMILESCNC(=O)c1cccc(NCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H17N3O/c1-18-17(21)12-5-4-6-14(9-12)19-10-13-11-20-16-8-3-2-7-15(13)16/h2-9,11,19-20H,10H2,1H3,(H,18,21)
InChIKeyBGEPRTLKSICMBZ-UHFFFAOYSA-N
XLogP3.14
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-ylmethylamino)benzamide
CID 60680190
N-methyl-3-[(2-methylphenyl)methylamino]benzamide
CID 28650229
2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
CID 38160633
2-(1H-indol-3-ylmethylamino)-N-methylpropanamide
CID 61057745
3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 104854341
3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245340
2-(1H-indol-3-ylmethylamino)-N-methylacetamide
CID 60664269
N-methyl-3-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 10914143
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
(2S)-2-[[3-[[(1S)-1-carboxylato-2-(1H-indol-3-yl)ethyl]carbamoyl]benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6999230
3-(1H-indol-3-ylmethylamino)-N-methylpropanamide
CID 55061964
3-bromo-N-(1H-indol-3-ylmethyl)-5-methylaniline
CID 107582123

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylmethylamino)-N-methylbenzamide?
The IUPAC name of 3-(1H-indol-3-ylmethylamino)-N-methylbenzamide (CID 60681537) is 3-(1H-indol-3-ylmethylamino)-N-methylbenzamide.
What is the SMILES notation for 3-(1H-indol-3-ylmethylamino)-N-methylbenzamide?
The canonical SMILES for 3-(1H-indol-3-ylmethylamino)-N-methylbenzamide is CNC(=O)c1cccc(NCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-(1H-indol-3-ylmethylamino)-N-methylbenzamide?
The InChIKey is BGEPRTLKSICMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-18-17(21)12-5-4-6-14(9-12)19-10-13-11-20-16-8-3-2-7-15(13)16/h2-9,11,19-20H,10H2,1H3,(H,18,21).
What are the key properties of 3-(1H-indol-3-ylmethylamino)-N-methylbenzamide?
3-(1H-indol-3-ylmethylamino)-N-methylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-ylmethylamino)-N-methylbenzamide is sourced from PubChem (CID 60681537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).