N-[(3R)-1-[2-(4-acetylphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide

C22H24N2O4 — CID 9178648

IUPACN-[(3R)-1-[2-(4-acetylphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)N(CCOc2ccc(C(C)=O)cc2)c2c(C)ccc(C)c21
InChIInChI=1S/C22H24N2O4/c1-13-5-6-14(2)21-19(13)20(23-16(4)26)22(27)24(21)11-12-28-18-9-7-17(8-10-18)15(3)25/h5-10,20H,11-12H2,1-4H3,(H,23,26)/t20-/m1/s1
InChIKeyGMSCVQJEFYXBMX-HXUWFJFHSA-N
MW380.44 g/mol
LogP3.11
Rot. Bonds6

About N-[(3R)-1-[2-(4-acetylphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3R)-1-[2-(4-acetylphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178648) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[(3R)-1-[2-(4-acetylphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-(4-acetylphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178648
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[(3R)-1-[2-(4-acetylphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)N(CCOc2ccc(C(C)=O)cc2)c2c(C)ccc(C)c21
InChIInChI=1S/C22H24N2O4/c1-13-5-6-14(2)21-19(13)20(23-16(4)26)22(27)24(21)11-12-28-18-9-7-17(8-10-18)15(3)25/h5-10,20H,11-12H2,1-4H3,(H,23,26)/t20-/m1/s1
InChIKeyGMSCVQJEFYXBMX-HXUWFJFHSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-4,7-dimethyl-1-[2-(3-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178639
N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178644
N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178621
N-[(3R)-5,7-dimethyl-2-oxo-1-(2-phenoxyethyl)-3H-indol-3-yl]acetamide
CID 9178750
N-[(3R)-7-methyl-2-oxo-1-(3-phenoxypropyl)-3H-indol-3-yl]acetamide
CID 9178542
N-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7219614
1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione
CID 139985290
N-[(3S)-5,7-dimethyl-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178779
N-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178627
N-[(3R)-7-methyl-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178562
N-[(3S)-4,7-dichloro-1-[3-(3-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9179193
N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178530

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(4-acetylphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[2-(4-acetylphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide (CID 9178648) is N-[(3R)-1-[2-(4-acetylphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[2-(4-acetylphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[2-(4-acetylphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@H]1C(=O)N(CCOc2ccc(C(C)=O)cc2)c2c(C)ccc(C)c21.
What is the InChIKey of N-[(3R)-1-[2-(4-acetylphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is GMSCVQJEFYXBMX-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-13-5-6-14(2)21-19(13)20(23-16(4)26)22(27)24(21)11-12-28-18-9-7-17(8-10-18)15(3)25/h5-10,20H,11-12H2,1-4H3,(H,23,26)/t20-/m1/s1.
What are the key properties of N-[(3R)-1-[2-(4-acetylphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3R)-1-[2-(4-acetylphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 380.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-(4-acetylphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).