N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide

C14H19NO3 — CID 110851625

IUPACN-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCOC2)cc1
InChIInChI=1S/C14H19NO3/c1-17-13-6-4-11(5-7-13)9-15-14(16)12-3-2-8-18-10-12/h4-7,12H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyHTHMJOARLBKXOU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.74
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide

N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide (PubChem CID 110851625) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
PubChem CID110851625
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCOC2)cc1
InChIInChI=1S/C14H19NO3/c1-17-13-6-4-11(5-7-13)9-15-14(16)12-3-2-8-18-10-12/h4-7,12H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyHTHMJOARLBKXOU-UHFFFAOYSA-N
XLogP1.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide
CID 166706454
N-[(3-bromo-4-methylphenyl)methyl]oxane-3-carboxamide
CID 170616174
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]oxane-3-carboxamide
CID 76982070
N-[(6-methoxynaphthalen-2-yl)methyl]oxane-4-carboxamide
CID 30307912
N-[(4-hydroxyphenyl)methyl]oxolane-3-carboxamide
CID 115595322
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174
3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 115161488
1-(1,3-dioxolan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 171907624
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861829
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861830
(3S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide
CID 95062342

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide (CID 110851625) is N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide is COc1ccc(CNC(=O)C2CCCOC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide?
The InChIKey is HTHMJOARLBKXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-13-6-4-11(5-7-13)9-15-14(16)12-3-2-8-18-10-12/h4-7,12H,2-3,8-10H2,1H3,(H,15,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide?
N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide is sourced from PubChem (CID 110851625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).