3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide

C23H27N3O2 — CID 113121754

IUPAC3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1C)CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H27N3O2/c1-17-7-3-4-8-19(17)15-25-23(28)12-14-26(18(2)27)13-11-20-16-24-22-10-6-5-9-21(20)22/h3-10,16,24H,11-15H2,1-2H3,(H,25,28)
InChIKeyUNGKHNGABFRAIZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.57
Rot. Bonds8

About 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide

3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 113121754) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide
PubChem CID113121754
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1C)CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H27N3O2/c1-17-7-3-4-8-19(17)15-25-23(28)12-14-26(18(2)27)13-11-20-16-24-22-10-6-5-9-21(20)22/h3-10,16,24H,11-15H2,1-2H3,(H,25,28)
InChIKeyUNGKHNGABFRAIZ-UHFFFAOYSA-N
XLogP3.57
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113121768
3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115765
3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113116924
3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115565
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide
CID 113121825
N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 11448238
N-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113056143
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113119260
N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056159
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113165206
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide
CID 113121765

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide (CID 113121754) is 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccccc1C)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is UNGKHNGABFRAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-7-3-4-8-19(17)15-25-23(28)12-14-26(18(2)27)13-11-20-16-24-22-10-6-5-9-21(20)22/h3-10,16,24H,11-15H2,1-2H3,(H,25,28).
What are the key properties of 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide?
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 377.49 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113121754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).