N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide

C16H23ClN2O2 — CID 46630775

IUPACN-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)N1CC(C)OC(C)C1
InChIInChI=1S/C16H23ClN2O2/c1-10-8-19(9-11(2)21-10)13(4)16(20)18-15-7-5-6-14(17)12(15)3/h5-7,10-11,13H,8-9H2,1-4H3,(H,18,20)
InChIKeyQHSOOJSYCXASSI-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.08
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide

N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide (PubChem CID 46630775) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
PubChem CID46630775
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)N1CC(C)OC(C)C1
InChIInChI=1S/C16H23ClN2O2/c1-10-8-19(9-11(2)21-10)13(4)16(20)18-15-7-5-6-14(17)12(15)3/h5-7,10-11,13H,8-9H2,1-4H3,(H,18,20)
InChIKeyQHSOOJSYCXASSI-UHFFFAOYSA-N
XLogP3.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430806
N-(2,4-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 3893745
N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880139
1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443547
(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 98938107
(2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 9249033
N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778971
N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 46563154
(2S)-N-(3-chloro-2-methylphenyl)-2-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide
CID 100855978
(2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 27132550
N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide
CID 86984159
3-[1-[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 122101242

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide (CID 46630775) is N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide is Cc1c(Cl)cccc1NC(=O)C(C)N1CC(C)OC(C)C1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide?
The InChIKey is QHSOOJSYCXASSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-10-8-19(9-11(2)21-10)13(4)16(20)18-15-7-5-6-14(17)12(15)3/h5-7,10-11,13H,8-9H2,1-4H3,(H,18,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide?
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide has a molecular weight of 310.83 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide is sourced from PubChem (CID 46630775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).