(2R)-3-(azetidin-1-yl)-N-[2-(2-chloro-3-methylphenyl)propan-2-yl]-2-methylpropanamide

C17H25ClN2O — CID 166072080

IUPAC(2R)-3-(azetidin-1-yl)-N-[2-(2-chloro-3-methylphenyl)propan-2-yl]-2-methylpropanamide
SMILESCc1cccc(C(C)(C)NC(=O)[C@H](C)CN2CCC2)c1Cl
InChIInChI=1S/C17H25ClN2O/c1-12-7-5-8-14(15(12)18)17(3,4)19-16(21)13(2)11-20-9-6-10-20/h5,7-8,13H,6,9-11H2,1-4H3,(H,19,21)/t13-/m1/s1
InChIKeyKHEBGQWQDPCSLA-CYBMUJFWSA-N
MW308.85 g/mol
LogP3.34
Rot. Bonds5

About (2R)-3-(azetidin-1-yl)-N-[2-(2-chloro-3-methylphenyl)propan-2-yl]-2-methylpropanamide

(2R)-3-(azetidin-1-yl)-N-[2-(2-chloro-3-methylphenyl)propan-2-yl]-2-methylpropanamide (PubChem CID 166072080) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is (2R)-3-(azetidin-1-yl)-N-[2-(2-chloro-3-methylphenyl)propan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3-(azetidin-1-yl)-N-[2-(2-chloro-3-methylphenyl)propan-2-yl]-2-methylpropanamide
PubChem CID166072080
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name(2R)-3-(azetidin-1-yl)-N-[2-(2-chloro-3-methylphenyl)propan-2-yl]-2-methylpropanamide
SMILESCc1cccc(C(C)(C)NC(=O)[C@H](C)CN2CCC2)c1Cl
InChIInChI=1S/C17H25ClN2O/c1-12-7-5-8-14(15(12)18)17(3,4)19-16(21)13(2)11-20-9-6-10-20/h5,7-8,13H,6,9-11H2,1-4H3,(H,19,21)/t13-/m1/s1
InChIKeyKHEBGQWQDPCSLA-CYBMUJFWSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(azetidin-1-yl)-N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 166072160
(2S)-2-(azetidin-1-ylmethyl)-N-[2-(2-fluorophenyl)propan-2-yl]butanamide
CID 166071996
3-(azetidin-1-yl)-2-methylpropanehydrazide
CID 130548534
2-hydroxy-3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217194
1-(4-chloro-2,3-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 14071351
2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62993945
N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61474184
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
2-methyl-3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]propanoic acid
CID 82323010
2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61140232
(2R)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide
CID 126450999
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(azetidin-1-yl)-N-[2-(2-chloro-3-methylphenyl)propan-2-yl]-2-methylpropanamide?
The IUPAC name of (2R)-3-(azetidin-1-yl)-N-[2-(2-chloro-3-methylphenyl)propan-2-yl]-2-methylpropanamide (CID 166072080) is (2R)-3-(azetidin-1-yl)-N-[2-(2-chloro-3-methylphenyl)propan-2-yl]-2-methylpropanamide.
What is the SMILES notation for (2R)-3-(azetidin-1-yl)-N-[2-(2-chloro-3-methylphenyl)propan-2-yl]-2-methylpropanamide?
The canonical SMILES for (2R)-3-(azetidin-1-yl)-N-[2-(2-chloro-3-methylphenyl)propan-2-yl]-2-methylpropanamide is Cc1cccc(C(C)(C)NC(=O)[C@H](C)CN2CCC2)c1Cl.
What is the InChIKey of (2R)-3-(azetidin-1-yl)-N-[2-(2-chloro-3-methylphenyl)propan-2-yl]-2-methylpropanamide?
The InChIKey is KHEBGQWQDPCSLA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-12-7-5-8-14(15(12)18)17(3,4)19-16(21)13(2)11-20-9-6-10-20/h5,7-8,13H,6,9-11H2,1-4H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-3-(azetidin-1-yl)-N-[2-(2-chloro-3-methylphenyl)propan-2-yl]-2-methylpropanamide?
(2R)-3-(azetidin-1-yl)-N-[2-(2-chloro-3-methylphenyl)propan-2-yl]-2-methylpropanamide has a molecular weight of 308.85 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(azetidin-1-yl)-N-[2-(2-chloro-3-methylphenyl)propan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 166072080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).