N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide

C22H26N2O3 — CID 7447214

IUPACN-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(CCOc2cc(C)ccc2C(C)C)c2ccccc21
InChIInChI=1S/C22H26N2O3/c1-14(2)17-10-9-15(3)13-20(17)27-12-11-24-19-8-6-5-7-18(19)21(22(24)26)23-16(4)25/h5-10,13-14,21H,11-12H2,1-4H3,(H,23,25)/t21-/m0/s1
InChIKeyCAJPWKBCZJMEID-NRFANRHFSA-N
MW366.46 g/mol
LogP3.72
Rot. Bonds6

About N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 7447214) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
PubChem CID7447214
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(CCOc2cc(C)ccc2C(C)C)c2ccccc21
InChIInChI=1S/C22H26N2O3/c1-14(2)17-10-9-15(3)13-20(17)27-12-11-24-19-8-6-5-7-18(19)21(22(24)26)23-16(4)25/h5-10,13-14,21H,11-12H2,1-4H3,(H,23,25)/t21-/m0/s1
InChIKeyCAJPWKBCZJMEID-NRFANRHFSA-N
XLogP3.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7447200
N-[(3R)-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178364
N-[(3R)-5-methyl-1-(3-naphthalen-1-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178450
N-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178434
(3R)-3-methyl-5-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 39115758
N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178752
N-[(3S)-5-methyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 942909
N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178324
N-[(3R)-1-[(2-ethoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178396
N-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178401
N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178530
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7447367

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide (CID 7447214) is N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@@H]1C(=O)N(CCOc2cc(C)ccc2C(C)C)c2ccccc21.
What is the InChIKey of N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is CAJPWKBCZJMEID-NRFANRHFSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14(2)17-10-9-15(3)13-20(17)27-12-11-24-19-8-6-5-7-18(19)21(22(24)26)23-16(4)25/h5-10,13-14,21H,11-12H2,1-4H3,(H,23,25)/t21-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 7447214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).