N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide

C15H21NO3 — CID 63936119

IUPACN-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)Nc1cccc(CO)c1
InChIInChI=1S/C15H21NO3/c17-11-12-4-3-5-13(10-12)16-15(18)8-7-14-6-1-2-9-19-14/h3-5,10,14,17H,1-2,6-9,11H2,(H,16,18)
InChIKeyWLJOMVXCAXJZKB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.47
Rot. Bonds5

About N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide

N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide (PubChem CID 63936119) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide
PubChem CID63936119
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)Nc1cccc(CO)c1
InChIInChI=1S/C15H21NO3/c17-11-12-4-3-5-13(10-12)16-15(18)8-7-14-6-1-2-9-19-14/h3-5,10,14,17H,1-2,6-9,11H2,(H,16,18)
InChIKeyWLJOMVXCAXJZKB-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155963
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 110921212
N-(3-nitrophenyl)-3-[(2S)-oxolan-2-yl]propanamide
CID 39095709
N-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide
CID 124749501
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581
N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 65157052
2-bromo-5-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 115295879
N-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide
CID 63953098
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812
N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63953371
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 55604794

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide (CID 63936119) is N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide is O=C(CCC1CCCCO1)Nc1cccc(CO)c1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide?
The InChIKey is WLJOMVXCAXJZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-11-12-4-3-5-13(10-12)16-15(18)8-7-14-6-1-2-9-19-14/h3-5,10,14,17H,1-2,6-9,11H2,(H,16,18).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide?
N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide has a molecular weight of 263.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 63936119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).