N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide

C21H25NO3 — CID 39909967

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C21H25NO3/c1-22(16-17-8-10-19(24-2)11-9-17)20(23)21(12-14-25-15-13-21)18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3
InChIKeyKWWNHYQJQQSBKY-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.40
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide

N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide (PubChem CID 39909967) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
PubChem CID39909967
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C21H25NO3/c1-22(16-17-8-10-19(24-2)11-9-17)20(23)21(12-14-25-15-13-21)18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3
InChIKeyKWWNHYQJQQSBKY-UHFFFAOYSA-N
XLogP3.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 47718655
[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 55325072
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 100788749
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
CID 39913975
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carboxylic acid
CID 62390142
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65465742
4-amino-N-benzyl-N-methyloxane-4-carboxamide
CID 115293535
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 54869116
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 134041085
4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 4250680
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxetane-3-carboxamide
CID 115185698

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide (CID 39909967) is N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide is COc1ccc(CN(C)C(=O)C2(c3ccccc3)CCOCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide?
The InChIKey is KWWNHYQJQQSBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-22(16-17-8-10-19(24-2)11-9-17)20(23)21(12-14-25-15-13-21)18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 39909967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).