N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide

C18H19NO3 — CID 97063534

IUPACN-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cc1
InChIInChI=1S/C18H19NO3/c1-22-14-8-6-12(7-9-14)10-17(20)19-16-11-13-4-2-3-5-15(13)18(16)21/h2-9,16,18,21H,10-11H2,1H3,(H,19,20)/t16-,18-/m1/s1
InChIKeyVHFOPQXRRLELSQ-SJLPKXTDSA-N
MW297.35 g/mol
LogP2.01
Rot. Bonds4

About N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide

N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 97063534) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID97063534
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cc1
InChIInChI=1S/C18H19NO3/c1-22-14-8-6-12(7-9-14)10-17(20)19-16-11-13-4-2-3-5-15(13)18(16)21/h2-9,16,18,21H,10-11H2,1H3,(H,19,20)/t16-,18-/m1/s1
InChIKeyVHFOPQXRRLELSQ-SJLPKXTDSA-N
XLogP2.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(4-methoxyphenyl)acetamide
CID 71913320
N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 130969150
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
4-methoxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 5152197
(1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 67652206
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(6-methoxy-1H-indol-3-yl)acetamide
CID 171674164
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 114302037
N-[(1R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxyacetamide
CID 166991162
N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide
CID 71053168
2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 164637304
2-(4-methoxyphenyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetamide
CID 110751393
N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-4-(1-methylpyrazol-4-yl)-4-oxobutanamide
CID 124744031

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide (CID 97063534) is N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cc1.
What is the InChIKey of N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is VHFOPQXRRLELSQ-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H19NO3/c1-22-14-8-6-12(7-9-14)10-17(20)19-16-11-13-4-2-3-5-15(13)18(16)21/h2-9,16,18,21H,10-11H2,1H3,(H,19,20)/t16-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide?
N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 297.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 97063534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).