1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone

C14H19NO3 — CID 114170427

IUPAC1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC2(CO)CCOCC2)cc1
InChIInChI=1S/C14H19NO3/c1-11(17)12-2-4-13(5-3-12)15-14(10-16)6-8-18-9-7-14/h2-5,15-16H,6-10H2,1H3
InChIKeyDZAORIXBRJFDLZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.84
Rot. Bonds4

About 1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone

1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone (PubChem CID 114170427) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone
PubChem CID114170427
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC2(CO)CCOCC2)cc1
InChIInChI=1S/C14H19NO3/c1-11(17)12-2-4-13(5-3-12)15-14(10-16)6-8-18-9-7-14/h2-5,15-16H,6-10H2,1H3
InChIKeyDZAORIXBRJFDLZ-UHFFFAOYSA-N
XLogP1.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-5-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone
CID 106296873
[4-(4-aminoanilino)oxan-4-yl]methanol
CID 106296805
[4-(4-methylsulfonylanilino)oxan-4-yl]methanol
CID 106299965
4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299081
[4-(4-methoxyanilino)oxepan-4-yl]methanol
CID 65080606
3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106298751
1-(4-bromophenyl)-3-[4-(hydroxymethyl)oxan-4-yl]urea
CID 139532400
[3-(pyridin-4-ylamino)oxolan-3-yl]methanol
CID 130834966
2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid
CID 119214907
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122
[4-(3-nitroanilino)oxan-4-yl]methanol
CID 114170363
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone (CID 114170427) is 1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone is CC(=O)c1ccc(NC2(CO)CCOCC2)cc1.
What is the InChIKey of 1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone?
The InChIKey is DZAORIXBRJFDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(17)12-2-4-13(5-3-12)15-14(10-16)6-8-18-9-7-14/h2-5,15-16H,6-10H2,1H3.
What are the key properties of 1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone?
1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone is sourced from PubChem (CID 114170427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).