N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride

C17H29Cl2N3O2 — CID 119836461

IUPACN,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride
SMILESCNCC(C)C(=O)N(C)Cc1ccccc1N1CCOCC1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-14(12-18-2)17(21)19(3)13-15-6-4-5-7-16(15)20-8-10-22-11-9-20;;/h4-7,14,18H,8-13H2,1-3H3;2*1H
InChIKeyOZSIVIPFEODXFY-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.18
Rot. Bonds6

About N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride

N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride (PubChem CID 119836461) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride.

Molecular Properties

Compound NameN,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride
PubChem CID119836461
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC NameN,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride
SMILESCNCC(C)C(=O)N(C)Cc1ccccc1N1CCOCC1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-14(12-18-2)17(21)19(3)13-15-6-4-5-7-16(15)20-8-10-22-11-9-20;;/h4-7,14,18H,8-13H2,1-3H3;2*1H
InChIKeyOZSIVIPFEODXFY-UHFFFAOYSA-N
XLogP2.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119836433
(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide
CID 51925060
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 55416261
2-(2-bromo-4-fluorophenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 46453032
(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863
1-hydroxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907045
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
2,2-dimethyl-N-[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]propanamide
CID 31645850
(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51925066
(2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 34469461

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride?
The IUPAC name of N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride (CID 119836461) is N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride.
What is the SMILES notation for N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride?
The canonical SMILES for N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride is CNCC(C)C(=O)N(C)Cc1ccccc1N1CCOCC1.Cl.Cl.
What is the InChIKey of N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride?
The InChIKey is OZSIVIPFEODXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-14(12-18-2)17(21)19(3)13-15-6-4-5-7-16(15)20-8-10-22-11-9-20;;/h4-7,14,18H,8-13H2,1-3H3;2*1H.
What are the key properties of N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride?
N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119836461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).