N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C18H28ClN3O3 — CID 119744232

IUPACN-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(C(=O)N2CC(C)OC(C)C2)cc1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-12(9-19-4)17(22)20-16-7-5-15(6-8-16)18(23)21-10-13(2)24-14(3)11-21;/h5-8,12-14,19H,9-11H2,1-4H3,(H,20,22);1H
InChIKeySRVZCXYOMTVKPB-UHFFFAOYSA-N
MW369.89 g/mol
LogP2.15
Rot. Bonds5

About N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119744232) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119744232
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC NameN-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(C(=O)N2CC(C)OC(C)C2)cc1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-12(9-19-4)17(22)20-16-7-5-15(6-8-16)18(23)21-10-13(2)24-14(3)11-21;/h5-8,12-14,19H,9-11H2,1-4H3,(H,20,22);1H
InChIKeySRVZCXYOMTVKPB-UHFFFAOYSA-N
XLogP2.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119752614
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119744220
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]urea
CID 42915501
(2S)-2-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylsulfanylbutanamide
CID 119300782
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(2,6-dimethylmorpholin-4-yl)-[4-(ethylamino)phenyl]methanone
CID 62170652
2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119744228
2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 119744229
(2,6-dimethylmorpholin-4-yl)-[4-(propylamino)phenyl]methanone
CID 62170653
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975409
1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129466552
1-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 119744203

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119744232) is N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)Nc1ccc(C(=O)N2CC(C)OC(C)C2)cc1.Cl.
What is the InChIKey of N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is SRVZCXYOMTVKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-12(9-19-4)17(22)20-16-7-5-15(6-8-16)18(23)21-10-13(2)24-14(3)11-21;/h5-8,12-14,19H,9-11H2,1-4H3,(H,20,22);1H.
What are the key properties of N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119744232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).