4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide

C20H23N3O — CID 90680568

IUPAC4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C20H23N3O/c1-15-14-18-4-2-3-5-19(18)23(15)13-12-22-20(24)17-8-6-16(7-9-17)10-11-21/h2-9,14H,10-13,21H2,1H3,(H,22,24)
InChIKeyBGHSLVBEOLZBOM-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.88
Rot. Bonds6

About 4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide

4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide (PubChem CID 90680568) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
PubChem CID90680568
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C20H23N3O/c1-15-14-18-4-2-3-5-19(18)23(15)13-12-22-20(24)17-8-6-16(7-9-17)10-11-21/h2-9,14H,10-13,21H2,1H3,(H,22,24)
InChIKeyBGHSLVBEOLZBOM-UHFFFAOYSA-N
XLogP2.88
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3311967
4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3314807
4-bromo-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 4144460
1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide
CID 90680556
3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3288194
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]-3-nitrobenzamide
CID 4080837
4-[2-(2-methylindol-1-yl)ethyl]aniline
CID 43519624
N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide
CID 90680601
2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4690489
N-[2-(2-methylindol-1-yl)ethyl]-2,2-diphenylacetamide
CID 3473428
N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide
CID 91625403

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide (CID 90680568) is 4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The InChIKey is BGHSLVBEOLZBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15-14-18-4-2-3-5-19(18)23(15)13-12-22-20(24)17-8-6-16(7-9-17)10-11-21/h2-9,14H,10-13,21H2,1H3,(H,22,24).
What are the key properties of 4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide has a molecular weight of 321.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90680568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).