N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide

C12H15NO3 — CID 62197477

IUPACN-[3-(hydroxymethyl)phenyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)Nc1cccc(CO)c1
InChIInChI=1S/C12H15NO3/c1-9(15)5-6-12(16)13-11-4-2-3-10(7-11)8-14/h2-4,7,14H,5-6,8H2,1H3,(H,13,16)
InChIKeyMYGCIINVJKPKNX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.49
Rot. Bonds5

About N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide

N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide (PubChem CID 62197477) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-4-oxopentanamide
PubChem CID62197477
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[3-(hydroxymethyl)phenyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)Nc1cccc(CO)c1
InChIInChI=1S/C12H15NO3/c1-9(15)5-6-12(16)13-11-4-2-3-10(7-11)8-14/h2-4,7,14H,5-6,8H2,1H3,(H,13,16)
InChIKeyMYGCIINVJKPKNX-UHFFFAOYSA-N
XLogP1.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide
CID 78986765
3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 54927415
N-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide
CID 113375207
N-[3-(hydroxymethyl)phenyl]hept-6-ynamide
CID 113349468
[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]phosphonic acid
CID 54125815
N-[3-(hydroxymethyl)phenyl]but-3-enamide
CID 62678719
3-(furan-2-yl)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 60630108
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-4-oxopentanamide
CID 108924089
(E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide
CID 111437309
2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 82110089

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide (CID 62197477) is N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide is CC(=O)CCC(=O)Nc1cccc(CO)c1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide?
The InChIKey is MYGCIINVJKPKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(15)5-6-12(16)13-11-4-2-3-10(7-11)8-14/h2-4,7,14H,5-6,8H2,1H3,(H,13,16).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide?
N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide has a molecular weight of 221.26 g/mol, XLogP of 1.49, 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]-4-oxopentanamide is sourced from PubChem (CID 62197477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).