N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide

C19H20N2O3 — CID 7447200

IUPACN-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(CCOc2ccccc2C)c2ccccc21
InChIInChI=1S/C19H20N2O3/c1-13-7-3-6-10-17(13)24-12-11-21-16-9-5-4-8-15(16)18(19(21)23)20-14(2)22/h3-10,18H,11-12H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyZPRYZBAIXRZUFX-SFHVURJKSA-N
MW324.38 g/mol
LogP2.60
Rot. Bonds5

About N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 7447200) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
PubChem CID7447200
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(CCOc2ccccc2C)c2ccccc21
InChIInChI=1S/C19H20N2O3/c1-13-7-3-6-10-17(13)24-12-11-21-16-9-5-4-8-15(16)18(19(21)23)20-14(2)22/h3-10,18H,11-12H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyZPRYZBAIXRZUFX-SFHVURJKSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178752
N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7447214
N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178530
N-[(3R)-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178364
N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178324
N-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide
CID 51575263
N-[(3R)-4,7-dichloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9179192
N-[(3R)-5-methyl-1-(3-naphthalen-1-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178450
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7447367
N-[(3R)-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178325
N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
CID 720059
N-[(3S)-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178326

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide (CID 7447200) is N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@@H]1C(=O)N(CCOc2ccccc2C)c2ccccc21.
What is the InChIKey of N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is ZPRYZBAIXRZUFX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-7-3-6-10-17(13)24-12-11-21-16-9-5-4-8-15(16)18(19(21)23)20-14(2)22/h3-10,18H,11-12H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 7447200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).