N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide

C21H24N2O2 — CID 110788570

IUPACN-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCc2ccc3c(c2)CC(=O)N3C)cc1
InChIInChI=1S/C21H24N2O2/c1-15-3-5-16(6-4-15)8-10-20(24)22-12-11-17-7-9-19-18(13-17)14-21(25)23(19)2/h3-7,9,13H,8,10-12,14H2,1-2H3,(H,22,24)
InChIKeyIJJKEVPDTPMBKA-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.81
Rot. Bonds6

About N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide

N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide (PubChem CID 110788570) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
PubChem CID110788570
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCc2ccc3c(c2)CC(=O)N3C)cc1
InChIInChI=1S/C21H24N2O2/c1-15-3-5-16(6-4-15)8-10-20(24)22-12-11-17-7-9-19-18(13-17)14-21(25)23(19)2/h3-7,9,13H,8,10-12,14H2,1-2H3,(H,22,24)
InChIKeyIJJKEVPDTPMBKA-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methyl-2-oxo-3H-indol-5-yl)-N-(2-phenylethyl)acetamide
CID 110768281
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid
CID 115141454
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82295802
4-methyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]benzamide
CID 110781426
1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea
CID 110775797
2-(2-fluorophenoxy)-N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]acetamide
CID 110788587
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide
CID 110788529
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide
CID 115260099
1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 52986160

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide (CID 110788570) is N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCCc2ccc3c(c2)CC(=O)N3C)cc1.
What is the InChIKey of N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is IJJKEVPDTPMBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-3-5-16(6-4-15)8-10-20(24)22-12-11-17-7-9-19-18(13-17)14-21(25)23(19)2/h3-7,9,13H,8,10-12,14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide?
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 336.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110788570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).