N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide

C14H19NO4 — CID 104630714

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NC1(CO)CCOCC1
InChIInChI=1S/C14H19NO4/c16-10-14(4-6-19-7-5-14)15-13(18)9-11-2-1-3-12(17)8-11/h1-3,8,16-17H,4-7,9-10H2,(H,15,18)
InChIKeyMTPCEOZLYJFYQP-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.59
Rot. Bonds4

About N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide

N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 104630714) 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-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide
PubChem CID104630714
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NC1(CO)CCOCC1
InChIInChI=1S/C14H19NO4/c16-10-14(4-6-19-7-5-14)15-13(18)9-11-2-1-3-12(17)8-11/h1-3,8,16-17H,4-7,9-10H2,(H,15,18)
InChIKeyMTPCEOZLYJFYQP-UHFFFAOYSA-N
XLogP0.59
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954217
N-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide
CID 106300936
2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid
CID 106296960
N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide
CID 106300669
1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81163856
2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]oxan-4-yl]acetic acid
CID 119215134
2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106297310
4-[[2-(3-bromophenyl)acetyl]amino]oxane-4-carboxylic acid
CID 115291429
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106296660
N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 171679438
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide (CID 104630714) is N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)NC1(CO)CCOCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is MTPCEOZLYJFYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c16-10-14(4-6-19-7-5-14)15-13(18)9-11-2-1-3-12(17)8-11/h1-3,8,16-17H,4-7,9-10H2,(H,15,18).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide?
N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 104630714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).