N-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide

C14H17ClN2O3 — CID 110859216

IUPACN-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCN1CCCOC1=O
InChIInChI=1S/C14H17ClN2O3/c1-10-9-11(15)3-4-12(10)16-13(18)5-7-17-6-2-8-20-14(17)19/h3-4,9H,2,5-8H2,1H3,(H,16,18)
InChIKeyWNTGFYYLGNOQSO-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.82
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide

N-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide (PubChem CID 110859216) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide
PubChem CID110859216
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCN1CCCOC1=O
InChIInChI=1S/C14H17ClN2O3/c1-10-9-11(15)3-4-12(10)16-13(18)5-7-17-6-2-8-20-14(17)19/h3-4,9H,2,5-8H2,1H3,(H,16,18)
InChIKeyWNTGFYYLGNOQSO-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686958
3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide
CID 47072562
N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014572
N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 86930614
N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 109032944
N-(3,4-difluorophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686968
N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378611
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
CID 72931434
N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47377806
4-(4-chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480
N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027177
N-(3-acetamidophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686933

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide (CID 110859216) is N-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide is Cc1cc(Cl)ccc1NC(=O)CCN1CCCOC1=O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide?
The InChIKey is WNTGFYYLGNOQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-10-9-11(15)3-4-12(10)16-13(18)5-7-17-6-2-8-20-14(17)19/h3-4,9H,2,5-8H2,1H3,(H,16,18).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide?
N-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide has a molecular weight of 296.75 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide is sourced from PubChem (CID 110859216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).