2-methyl-3-(methylamino)-N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]propanamide

C23H30N2O3 — CID 119800422

IUPAC2-methyl-3-(methylamino)-N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]propanamide
SMILESCNCC(C)C(=O)NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1
InChIInChI=1S/C23H30N2O3/c1-18(16-24-2)22(26)25-23(12-14-27-15-13-23)20-8-10-21(11-9-20)28-17-19-6-4-3-5-7-19/h3-11,18,24H,12-17H2,1-2H3,(H,25,26)
InChIKeyIMZYVCBWBUEJBQ-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.24
Rot. Bonds8

About 2-methyl-3-(methylamino)-N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]propanamide

2-methyl-3-(methylamino)-N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]propanamide (PubChem CID 119800422) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]propanamide
PubChem CID119800422
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-methyl-3-(methylamino)-N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]propanamide
SMILESCNCC(C)C(=O)NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1
InChIInChI=1S/C23H30N2O3/c1-18(16-24-2)22(26)25-23(12-14-27-15-13-23)20-8-10-21(11-9-20)28-17-19-6-4-3-5-7-19/h3-11,18,24H,12-17H2,1-2H3,(H,25,26)
InChIKeyIMZYVCBWBUEJBQ-UHFFFAOYSA-N
XLogP3.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-(1-phenylcyclobutyl)propanamide;hydrochloride
CID 119697180
N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]pyrrolidine-3-carboxamide
CID 119800430
1-[1-(4-methylphenyl)cyclopropyl]-3-(4-phenylmethoxyphenyl)urea
CID 113215329
1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea
CID 113215142
N-[1-(4-fluorophenyl)cyclopentyl]-2-methyl-3-(methylamino)propanamide
CID 119752714
4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 100681565
N-(2-morpholin-4-ylpropyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 55612253
1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone
CID 59016188
benzyl (2R)-2-methyl-3-(methylamino)propanoate
CID 131170402
4-[4-(2-methylpyrimidin-5-yl)phenyl]-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 67987918
methyl 3-methyl-3-(4-phenylmethoxyphenyl)-2-propan-2-yloxirane-2-carboxylate
CID 113247475
2-methyl-3-(methylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide;hydrochloride
CID 119773685

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]propanamide (CID 119800422) is 2-methyl-3-(methylamino)-N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]propanamide is CNCC(C)C(=O)NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]propanamide?
The InChIKey is IMZYVCBWBUEJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-18(16-24-2)22(26)25-23(12-14-27-15-13-23)20-8-10-21(11-9-20)28-17-19-6-4-3-5-7-19/h3-11,18,24H,12-17H2,1-2H3,(H,25,26).
What are the key properties of 2-methyl-3-(methylamino)-N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]propanamide?
2-methyl-3-(methylamino)-N-[4-(4-phenylmethoxyphenyl)oxan-4-yl]propanamide has a molecular weight of 382.50 g/mol, XLogP of 3.24, 8 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-(4-phenylmethoxyphenyl)oxan-4-yl]propanamide is sourced from PubChem (CID 119800422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).