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

C13H19NO3 — CID 113375207

IUPACN-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide
SMILESCOC(C)CCC(=O)Nc1cccc(CO)c1
InChIInChI=1S/C13H19NO3/c1-10(17-2)6-7-13(16)14-12-5-3-4-11(8-12)9-15/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,14,16)
InChIKeyHHZMUCSEXNIMAA-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.93
Rot. Bonds6

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

N-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide (PubChem CID 113375207) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide
PubChem CID113375207
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide
SMILESCOC(C)CCC(=O)Nc1cccc(CO)c1
InChIInChI=1S/C13H19NO3/c1-10(17-2)6-7-13(16)14-12-5-3-4-11(8-12)9-15/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,14,16)
InChIKeyHHZMUCSEXNIMAA-UHFFFAOYSA-N
XLogP1.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide
CID 78986765
N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide
CID 62197477
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 54927415
3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide
CID 106111620
N-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide
CID 54897792
4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide
CID 79192534
2-methoxy-4-(4-methoxypentanoylamino)benzoic acid
CID 107208767
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 61179301
N-[3-(hydroxymethyl)phenyl]hept-6-ynamide
CID 113349468
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide (CID 113375207) is N-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide is COC(C)CCC(=O)Nc1cccc(CO)c1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide?
The InChIKey is HHZMUCSEXNIMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(17-2)6-7-13(16)14-12-5-3-4-11(8-12)9-15/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,14,16).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide?
N-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide has a molecular weight of 237.30 g/mol, XLogP of 1.93, 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-methoxypentanamide is sourced from PubChem (CID 113375207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).