N-[5,7-dimethyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide

C20H22N2O2 — CID 4555330

IUPACN-[5,7-dimethyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
SMILESCC(=O)NC1C(=O)N(CCc2ccccc2)c2c(C)cc(C)cc21
InChIInChI=1S/C20H22N2O2/c1-13-11-14(2)19-17(12-13)18(21-15(3)23)20(24)22(19)10-9-16-7-5-4-6-8-16/h4-8,11-12,18H,9-10H2,1-3H3,(H,21,23)
InChIKeyBMNCYGUXNUSRED-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.07
Rot. Bonds4

About N-[5,7-dimethyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide

N-[5,7-dimethyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide (PubChem CID 4555330) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[5,7-dimethyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5,7-dimethyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
PubChem CID4555330
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[5,7-dimethyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
SMILESCC(=O)NC1C(=O)N(CCc2ccccc2)c2c(C)cc(C)cc21
InChIInChI=1S/C20H22N2O2/c1-13-11-14(2)19-17(12-13)18(21-15(3)23)20(24)22(19)10-9-16-7-5-4-6-8-16/h4-8,11-12,18H,9-10H2,1-3H3,(H,21,23)
InChIKeyBMNCYGUXNUSRED-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl)acetamide
CID 2967336
N-[(3R)-1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 2223279
N-[(3R)-5,7-dimethyl-2-oxo-1-(2-phenoxyethyl)-3H-indol-3-yl]acetamide
CID 9178750
N-[(3S)-5-methyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 942909
N-[(3R)-5-methyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 942908
N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178752
N-[(3S)-5,7-dimethyl-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178779
N-[(3R)-5,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178778
N-[(3S)-5,7-dimethyl-1-(3-naphthalen-1-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178795
N-(1,5,7-trimethyl-2-oxo-3H-indol-3-yl)acetamide
CID 2968737
N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 7707518
N-[(3R)-5-fluoro-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 7677929

Frequently Asked Questions

What is the IUPAC name of N-[5,7-dimethyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide?
The IUPAC name of N-[5,7-dimethyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide (CID 4555330) is N-[5,7-dimethyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[5,7-dimethyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[5,7-dimethyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide is CC(=O)NC1C(=O)N(CCc2ccccc2)c2c(C)cc(C)cc21.
What is the InChIKey of N-[5,7-dimethyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide?
The InChIKey is BMNCYGUXNUSRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-11-14(2)19-17(12-13)18(21-15(3)23)20(24)22(19)10-9-16-7-5-4-6-8-16/h4-8,11-12,18H,9-10H2,1-3H3,(H,21,23).
What are the key properties of N-[5,7-dimethyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide?
N-[5,7-dimethyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,7-dimethyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide is sourced from PubChem (CID 4555330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).