N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2S)-oxolan-2-yl]acetamide

C16H23ClN2O2 — CID 124852739

IUPACN-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESCN(C)C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-19(2)11-15(12-5-7-13(17)8-6-12)18-16(20)10-14-4-3-9-21-14/h5-8,14-15H,3-4,9-11H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyVHVGRZFXXQEOCZ-GJZGRUSLSA-N
MW310.82 g/mol
LogP2.63
Rot. Bonds6

About N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2S)-oxolan-2-yl]acetamide

N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2S)-oxolan-2-yl]acetamide (PubChem CID 124852739) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2S)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2S)-oxolan-2-yl]acetamide
PubChem CID124852739
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESCN(C)C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-19(2)11-15(12-5-7-13(17)8-6-12)18-16(20)10-14-4-3-9-21-14/h5-8,14-15H,3-4,9-11H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyVHVGRZFXXQEOCZ-GJZGRUSLSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94663590
(3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid
CID 124704080
1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea
CID 17182016
(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
CID 124559457
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 65156988
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 103804697
2-(4-chlorophenyl)-3-oxo-4-(oxolan-2-yl)butanenitrile
CID 65155523
3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 110297555
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 8676585
N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride
CID 120567600
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023
N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide
CID 114300771

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2S)-oxolan-2-yl]acetamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2S)-oxolan-2-yl]acetamide (CID 124852739) is N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2S)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2S)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2S)-oxolan-2-yl]acetamide is CN(C)C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2S)-oxolan-2-yl]acetamide?
The InChIKey is VHVGRZFXXQEOCZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-19(2)11-15(12-5-7-13(17)8-6-12)18-16(20)10-14-4-3-9-21-14/h5-8,14-15H,3-4,9-11H2,1-2H3,(H,18,20)/t14-,15-/m0/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2S)-oxolan-2-yl]acetamide?
N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2S)-oxolan-2-yl]acetamide has a molecular weight of 310.82 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2S)-oxolan-2-yl]acetamide is sourced from PubChem (CID 124852739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).