2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride

C18H29ClN2O3 — CID 119797808

IUPAC2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13-4-5-16(20-18(21)14(2)11-19-3)10-17(13)23-12-15-6-8-22-9-7-15;/h4-5,10,14-15,19H,6-9,11-12H2,1-3H3,(H,20,21);1H
InChIKeyUNDMAZKRVLBKAZ-UHFFFAOYSA-N
MW356.89 g/mol
LogP3.02
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride (PubChem CID 119797808) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride
PubChem CID119797808
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13-4-5-16(20-18(21)14(2)11-19-3)10-17(13)23-12-15-6-8-22-9-7-15;/h4-5,10,14-15,19H,6-9,11-12H2,1-3H3,(H,20,21);1H
InChIKeyUNDMAZKRVLBKAZ-UHFFFAOYSA-N
XLogP3.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976327
3,3-dimethyl-5-[4-methyl-3-(oxan-4-ylmethoxy)anilino]-5-oxopentanoic acid
CID 119137975
1-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 126791849
1-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085465
4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide
CID 119797799
N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939630
6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 166213173
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 119712739
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119669230
2-(methylamino)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793689
N-[3-(cyclohexylmethoxy)-4-methylphenyl]morpholine-3-carboxamide
CID 119797837
N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119872216

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride (CID 119797808) is 2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride is CNCC(C)C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is UNDMAZKRVLBKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-13-4-5-16(20-18(21)14(2)11-19-3)10-17(13)23-12-15-6-8-22-9-7-15;/h4-5,10,14-15,19H,6-9,11-12H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119797808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).