N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide

C18H25NO3 — CID 124742204

IUPACN-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide
SMILESCC(C)(C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O)C1CCOCC1
InChIInChI=1S/C18H25NO3/c1-18(2,13-7-9-22-10-8-13)17(21)19-15-11-12-5-3-4-6-14(12)16(15)20/h3-6,13,15-16,20H,7-11H2,1-2H3,(H,19,21)/t15-,16+/m1/s1
InChIKeyXFMHKBAIGYNFSO-CVEARBPZSA-N
MW303.40 g/mol
LogP2.21
Rot. Bonds3

About N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide

N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide (PubChem CID 124742204) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide
PubChem CID124742204
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide
SMILESCC(C)(C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O)C1CCOCC1
InChIInChI=1S/C18H25NO3/c1-18(2,13-7-9-22-10-8-13)17(21)19-15-11-12-5-3-4-6-14(12)16(15)20/h3-6,13,15-16,20H,7-11H2,1-2H3,(H,19,21)/t15-,16+/m1/s1
InChIKeyXFMHKBAIGYNFSO-CVEARBPZSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide 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

3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide
CID 124883091
N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 130969150
N-[4-[[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823686
N-[4-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823685
N-[4-[[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823688
N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide
CID 71053168
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide
CID 103816843
N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide
CID 97063534
N-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(4-methoxyphenyl)acetamide
CID 71913320
(2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol
CID 58393877
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea
CID 138018771
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea
CID 129396922

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide?
The IUPAC name of N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide (CID 124742204) is N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide?
The canonical SMILES for N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide is CC(C)(C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O)C1CCOCC1.
What is the InChIKey of N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide?
The InChIKey is XFMHKBAIGYNFSO-CVEARBPZSA-N. The full InChI is InChI=1S/C18H25NO3/c1-18(2,13-7-9-22-10-8-13)17(21)19-15-11-12-5-3-4-6-14(12)16(15)20/h3-6,13,15-16,20H,7-11H2,1-2H3,(H,19,21)/t15-,16+/m1/s1.
What are the key properties of N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide?
N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide has a molecular weight of 303.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 124742204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).