(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide

C20H23NO3 — CID 52533675

IUPAC(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H23NO3/c1-13(24-12-16-5-3-11-23-16)20(22)21-18-10-9-15-8-7-14-4-2-6-17(18)19(14)15/h2,4,6,9-10,13,16H,3,5,7-8,11-12H2,1H3,(H,21,22)/t13-,16-/m0/s1
InChIKeyBDLKTZCLXSYTKH-BBRMVZONSA-N
MW325.41 g/mol
LogP3.46
Rot. Bonds5

About (2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide

(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide (PubChem CID 52533675) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
PubChem CID52533675
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H23NO3/c1-13(24-12-16-5-3-11-23-16)20(22)21-18-10-9-15-8-7-14-4-2-6-17(18)19(14)15/h2,4,6,9-10,13,16H,3,5,7-8,11-12H2,1H3,(H,21,22)/t13-,16-/m0/s1
InChIKeyBDLKTZCLXSYTKH-BBRMVZONSA-N
XLogP3.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133
N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 51126483
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide
CID 120883116
N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide
CID 95247449
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
(2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95286084
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 119421308
(2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95281098
(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 97003852

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The IUPAC name of (2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide (CID 52533675) is (2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The canonical SMILES for (2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide is C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of (2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The InChIKey is BDLKTZCLXSYTKH-BBRMVZONSA-N. The full InChI is InChI=1S/C20H23NO3/c1-13(24-12-16-5-3-11-23-16)20(22)21-18-10-9-15-8-7-14-4-2-6-17(18)19(14)15/h2,4,6,9-10,13,16H,3,5,7-8,11-12H2,1H3,(H,21,22)/t13-,16-/m0/s1.
What are the key properties of (2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide has a molecular weight of 325.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide is sourced from PubChem (CID 52533675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).