N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide

C14H19NO4 — CID 103954290

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C14H19NO4/c1-18-12-5-3-2-4-11(12)13(17)15-14(10-16)6-8-19-9-7-14/h2-5,16H,6-10H2,1H3,(H,15,17)
InChIKeyIYLLMEZRJPKHQE-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.97
Rot. Bonds4

About N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide

N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide (PubChem CID 103954290) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide
PubChem CID103954290
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C14H19NO4/c1-18-12-5-3-2-4-11(12)13(17)15-14(10-16)6-8-19-9-7-14/h2-5,16H,6-10H2,1H3,(H,15,17)
InChIKeyIYLLMEZRJPKHQE-UHFFFAOYSA-N
XLogP0.97
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide
CID 113344829
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide
CID 106296667
2-[1-[(2-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672571
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 104630465
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide
CID 106296683
3-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106548206
2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide
CID 104630360
N-[4-(bromomethyl)oxan-4-yl]-2,5-dimethoxybenzamide
CID 106304782
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237
2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106297310
N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 106297411
2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid
CID 106296960

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide (CID 103954290) is N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC1(CO)CCOCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide?
The InChIKey is IYLLMEZRJPKHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-12-5-3-2-4-11(12)13(17)15-14(10-16)6-8-19-9-7-14/h2-5,16H,6-10H2,1H3,(H,15,17).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide?
N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide has a molecular weight of 265.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 103954290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).