(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide

C19H23NO4 — CID 166342396

IUPAC(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)[C@H](O)[C@@H]1COC(C)(C)O1)c1ccc2ccccc2c1
InChIInChI=1S/C19H23NO4/c1-12(14-9-8-13-6-4-5-7-15(13)10-14)20-18(22)17(21)16-11-23-19(2,3)24-16/h4-10,12,16-17,21H,11H2,1-3H3,(H,20,22)/t12-,16-,17+/m0/s1
InChIKeyWEBUUWYWGOKEER-AFAVFJNCSA-N
MW329.40 g/mol
LogP2.53
Rot. Bonds4

About (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide

(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide (PubChem CID 166342396) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide.

Molecular Properties

Compound Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
PubChem CID166342396
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)[C@H](O)[C@@H]1COC(C)(C)O1)c1ccc2ccccc2c1
InChIInChI=1S/C19H23NO4/c1-12(14-9-8-13-6-4-5-7-15(13)10-14)20-18(22)17(21)16-11-23-19(2,3)24-16/h4-10,12,16-17,21H,11H2,1-3H3,(H,20,22)/t12-,16-,17+/m0/s1
InChIKeyWEBUUWYWGOKEER-AFAVFJNCSA-N
XLogP2.53
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-naphthalen-2-ylethyl]-2,2-diphenylacetamide
CID 7899729
2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 78776325
(2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide
CID 141351308
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]benzamide
CID 122388100
2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide
CID 78776331
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide
CID 8025361
2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide
CID 145167026
benzyl N-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(4-methoxyphenyl)methyl]carbamate
CID 102287259
2-amino-3-methyl-N-(1-naphthalen-2-ylethyl)pentanamide
CID 119685967
1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
CID 29026952
N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 101382734

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
The IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide (CID 166342396) is (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide.
What is the SMILES notation for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
The canonical SMILES for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide is C[C@H](NC(=O)[C@H](O)[C@@H]1COC(C)(C)O1)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
The InChIKey is WEBUUWYWGOKEER-AFAVFJNCSA-N. The full InChI is InChI=1S/C19H23NO4/c1-12(14-9-8-13-6-4-5-7-15(13)10-14)20-18(22)17(21)16-11-23-19(2,3)24-16/h4-10,12,16-17,21H,11H2,1-3H3,(H,20,22)/t12-,16-,17+/m0/s1.
What are the key properties of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide is sourced from PubChem (CID 166342396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).