2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide

C23H27NO3 — CID 25485900

IUPAC2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)cc1C
InChIInChI=1S/C23H27NO3/c1-13-6-8-18(10-15(13)3)17(5)24-21(26)12-27-20-9-7-14(2)22-16(4)11-19(25)23(20)22/h6-10,16-17H,11-12H2,1-5H3,(H,24,26)/t16-,17+/m1/s1
InChIKeyNELLXEMRLPPGJR-SJORKVTESA-N
MW365.47 g/mol
LogP4.56
Rot. Bonds5

About 2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide

2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide (PubChem CID 25485900) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
PubChem CID25485900
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)cc1C
InChIInChI=1S/C23H27NO3/c1-13-6-8-18(10-15(13)3)17(5)24-21(26)12-27-20-9-7-14(2)22-16(4)11-19(25)23(20)22/h6-10,16-17H,11-12H2,1-5H3,(H,24,26)/t16-,17+/m1/s1
InChIKeyNELLXEMRLPPGJR-SJORKVTESA-N
XLogP4.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]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

2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide
CID 24582153
2-(2-bromophenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7466805
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide
CID 167782230
2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 39078730
N-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
CID 40803983
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylphenyl)acetamide
CID 24582157
2-(2,6-dimethoxyphenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 46697439
N-(3-bromo-4,5-difluorophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 166369752
2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 24527523
2-(3,4-difluorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 24608166
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 8751680
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7788075

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide (CID 25485900) is 2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)cc1C.
What is the InChIKey of 2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide?
The InChIKey is NELLXEMRLPPGJR-SJORKVTESA-N. The full InChI is InChI=1S/C23H27NO3/c1-13-6-8-18(10-15(13)3)17(5)24-21(26)12-27-20-9-7-14(2)22-16(4)11-19(25)23(20)22/h6-10,16-17H,11-12H2,1-5H3,(H,24,26)/t16-,17+/m1/s1.
What are the key properties of 2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide?
2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide has a molecular weight of 365.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 25485900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).