N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide

C15H22ClN3O2 — CID 119840536

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C15H22ClN3O2/c1-11(10-17-2)15(20)18-13-5-3-4-12(16)14(13)19-6-8-21-9-7-19/h3-5,11,17H,6-10H2,1-2H3,(H,18,20)
InChIKeyPGMFFXCIPNUUAL-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.97
Rot. Bonds5

About N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide

N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 119840536) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide
PubChem CID119840536
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C15H22ClN3O2/c1-11(10-17-2)15(20)18-13-5-3-4-12(16)14(13)19-6-8-21-9-7-19/h3-5,11,17H,6-10H2,1-2H3,(H,18,20)
InChIKeyPGMFFXCIPNUUAL-UHFFFAOYSA-N
XLogP1.97
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38938290
N-(3-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111432211
2-methyl-3-(methylamino)-N-(2-morpholin-4-yl-3-pyridinyl)propanamide;dihydrochloride
CID 119845852
(2R,3R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 97091089
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 41270501
(2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51729034
N-(3-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylacetamide
CID 18141754
4-amino-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methoxybutanamide;dihydrochloride
CID 120595047
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 79195677
2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
CID 3968174
N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 952438

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide (CID 119840536) is N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is PGMFFXCIPNUUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-11(10-17-2)15(20)18-13-5-3-4-12(16)14(13)19-6-8-21-9-7-19/h3-5,11,17H,6-10H2,1-2H3,(H,18,20).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 311.81 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119840536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).