N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide

C20H21N3O2 — CID 30858933

IUPACN-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)Cn2c(C)cc3ccccc32)c1
InChIInChI=1S/C20H21N3O2/c1-14-10-16-7-3-4-9-18(16)23(14)13-19(24)22-12-15-6-5-8-17(11-15)20(25)21-2/h3-11H,12-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyKVYXQYXMLVGFNH-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.63
Rot. Bonds5

About N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide

N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide (PubChem CID 30858933) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide
PubChem CID30858933
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)Cn2c(C)cc3ccccc32)c1
InChIInChI=1S/C20H21N3O2/c1-14-10-16-7-3-4-9-18(16)23(14)13-19(24)22-12-15-6-5-8-17(11-15)20(25)21-2/h3-11H,12-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyKVYXQYXMLVGFNH-UHFFFAOYSA-N
XLogP2.63
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 32917381
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CID 9093001
2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51238620
3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide
CID 55632429
2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60981974
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
CID 55801706
3-[[[3-(benzylamino)-3-oxopropyl]carbamothioylamino]methyl]-N-methylbenzamide
CID 16664467
N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide
CID 119719954
N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 36907060
N-cyclopropyl-2-[[2-(2-methylindol-1-yl)acetyl]amino]acetamide
CID 46418927
1-chloro-N-[[3-(methylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxamide
CID 55669454
3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide
CID 46593452

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide (CID 30858933) is N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide is CNC(=O)c1cccc(CNC(=O)Cn2c(C)cc3ccccc32)c1.
What is the InChIKey of N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide?
The InChIKey is KVYXQYXMLVGFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-10-16-7-3-4-9-18(16)23(14)13-19(24)22-12-15-6-5-8-17(11-15)20(25)21-2/h3-11H,12-13H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide?
N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 30858933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).