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

C12H17NO3 — CID 78986765

IUPACN-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide
SMILESCOCCCC(=O)Nc1cccc(CO)c1
InChIInChI=1S/C12H17NO3/c1-16-7-3-6-12(15)13-11-5-2-4-10(8-11)9-14/h2,4-5,8,14H,3,6-7,9H2,1H3,(H,13,15)
InChIKeyLAPUWPIKVDPFBC-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.54
Rot. Bonds6

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

N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide (PubChem CID 78986765) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide
PubChem CID78986765
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide
SMILESCOCCCC(=O)Nc1cccc(CO)c1
InChIInChI=1S/C12H17NO3/c1-16-7-3-6-12(15)13-11-5-2-4-10(8-11)9-14/h2,4-5,8,14H,3,6-7,9H2,1H3,(H,13,15)
InChIKeyLAPUWPIKVDPFBC-UHFFFAOYSA-N
XLogP1.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
N-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide
CID 54897792
N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide
CID 62197477
N-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide
CID 113375207
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
N-[3-(hydroxymethyl)phenyl]hept-6-ynamide
CID 113349468
3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 54927415
4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide
CID 119327284
N-[3-(hydroxymethyl)phenyl]but-3-enamide
CID 62678719
[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]phosphonic acid
CID 54125815
N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
CID 63684342

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide (CID 78986765) is N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide is COCCCC(=O)Nc1cccc(CO)c1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide?
The InChIKey is LAPUWPIKVDPFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-16-7-3-6-12(15)13-11-5-2-4-10(8-11)9-14/h2,4-5,8,14H,3,6-7,9H2,1H3,(H,13,15).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide?
N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide has a molecular weight of 223.27 g/mol, XLogP of 1.54, 6 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-methoxybutanamide is sourced from PubChem (CID 78986765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).