(2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(3-methyloxetan-3-yl)methyl]acetamide

C15H21ClN2O2 — CID 51599913

IUPAC(2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(3-methyloxetan-3-yl)methyl]acetamide
SMILESCN(C)[C@@H](C(=O)NCC1(C)COC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-15(9-20-10-15)8-17-14(19)13(18(2)3)11-4-6-12(16)7-5-11/h4-7,13H,8-10H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyADNHNGTVOSYISS-CYBMUJFWSA-N
MW296.80 g/mol
LogP2.10
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(3-methyloxetan-3-yl)methyl]acetamide

(2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(3-methyloxetan-3-yl)methyl]acetamide (PubChem CID 51599913) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(3-methyloxetan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(3-methyloxetan-3-yl)methyl]acetamide
PubChem CID51599913
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(3-methyloxetan-3-yl)methyl]acetamide
SMILESCN(C)[C@@H](C(=O)NCC1(C)COC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-15(9-20-10-15)8-17-14(19)13(18(2)3)11-4-6-12(16)7-5-11/h4-7,13H,8-10H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyADNHNGTVOSYISS-CYBMUJFWSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 77089318
2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78957043
2-(4-chlorophenoxy)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78957606
1-[2-(4-chlorophenyl)sulfanylethyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
CID 111831503
2-(4-chlorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 126819847
2-bromo-4-chloro-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 113257527
(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide
CID 97190654
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(dimethylamino)-2-phenylacetamide
CID 110625358
2-(2-fluorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78956697
3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide
CID 109480246
2-[(4-chlorophenyl)methyl]-1-ethyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
CID 111827490
1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
CID 112690764

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(3-methyloxetan-3-yl)methyl]acetamide (CID 51599913) is (2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(3-methyloxetan-3-yl)methyl]acetamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(3-methyloxetan-3-yl)methyl]acetamide is CN(C)[C@@H](C(=O)NCC1(C)COC1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The InChIKey is ADNHNGTVOSYISS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-15(9-20-10-15)8-17-14(19)13(18(2)3)11-4-6-12(16)7-5-11/h4-7,13H,8-10H2,1-3H3,(H,17,19)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
(2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(3-methyloxetan-3-yl)methyl]acetamide has a molecular weight of 296.80 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(3-methyloxetan-3-yl)methyl]acetamide is sourced from PubChem (CID 51599913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).