N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide

C15H21NO3 — CID 115621995

IUPACN-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NCc1ccc(O)cc1
InChIInChI=1S/C15H21NO3/c17-13-6-4-12(5-7-13)11-16-15(18)9-8-14-3-1-2-10-19-14/h4-7,14,17H,1-3,8-11H2,(H,16,18)
InChIKeyZMKLNEQLVDOUAQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.36
Rot. Bonds5

About N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide

N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide (PubChem CID 115621995) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide
PubChem CID115621995
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NCc1ccc(O)cc1
InChIInChI=1S/C15H21NO3/c17-13-6-4-12(5-7-13)11-16-15(18)9-8-14-3-1-2-10-19-14/h4-7,14,17H,1-3,8-11H2,(H,16,18)
InChIKeyZMKLNEQLVDOUAQ-UHFFFAOYSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-3-(oxan-2-yl)propanamide
CID 107233408
3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 94097094
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide
CID 105061488
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 52514252
N-[(4-hydroxyphenyl)methyl]-3-piperidin-2-ylpropanamide
CID 114332165
N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94184404
N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64911137
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide
CID 110625410
2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255944
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 34685373
N-benzyl-2-(oxan-2-ylmethylamino)acetamide
CID 60971571
3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide
CID 106910402

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide (CID 115621995) is N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide is O=C(CCC1CCCCO1)NCc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide?
The InChIKey is ZMKLNEQLVDOUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-13-6-4-12(5-7-13)11-16-15(18)9-8-14-3-1-2-10-19-14/h4-7,14,17H,1-3,8-11H2,(H,16,18).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide?
N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide has a molecular weight of 263.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 115621995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).