2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride

C17H27ClN2O2 — CID 119818126

IUPAC2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC1CCCOC1c1ccc(C)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12-6-8-14(9-7-12)16-15(5-4-10-21-16)19-17(20)13(2)11-18-3;/h6-9,13,15-16,18H,4-5,10-11H2,1-3H3,(H,19,20);1H
InChIKeyGKVGDBOXVXXVSA-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.61
Rot. Bonds5

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

2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride (PubChem CID 119818126) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride
PubChem CID119818126
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC1CCCOC1c1ccc(C)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12-6-8-14(9-7-12)16-15(5-4-10-21-16)19-17(20)13(2)11-18-3;/h6-9,13,15-16,18H,4-5,10-11H2,1-3H3,(H,19,20);1H
InChIKeyGKVGDBOXVXXVSA-UHFFFAOYSA-N
XLogP2.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide
CID 120991542
N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide
CID 95964708
(3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide
CID 129467980
3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119818112
N-[2-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide;hydrochloride
CID 120830094
N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119343321
1-methyl-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]pyrazole-4-carboxamide
CID 96565943
3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide
CID 95964683
2-methyl-3-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-oxopropanoic acid
CID 122065691
N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 95964717
N-[(2S)-1-aminopropan-2-yl]-2-(4-methylphenyl)oxane-3-carboxamide
CID 120508179
N-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide
CID 119430513

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride (CID 119818126) is 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride is CNCC(C)C(=O)NC1CCCOC1c1ccc(C)cc1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride?
The InChIKey is GKVGDBOXVXXVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-12-6-8-14(9-7-12)16-15(5-4-10-21-16)19-17(20)13(2)11-18-3;/h6-9,13,15-16,18H,4-5,10-11H2,1-3H3,(H,19,20);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride is sourced from PubChem (CID 119818126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).