N-[3-(4-hydroxy-3-methoxyphenyl)propyl]acetamide

C12H17NO3 — CID 46884598

IUPACN-[3-(4-hydroxy-3-methoxyphenyl)propyl]acetamide
SMILESCOc1cc(CCCNC(C)=O)ccc1O
InChIInChI=1S/C12H17NO3/c1-9(14)13-7-3-4-10-5-6-11(15)12(8-10)16-2/h5-6,8,15H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyYOLSQHAXCLGSKL-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.47
Rot. Bonds5

About N-[3-(4-hydroxy-3-methoxyphenyl)propyl]acetamide

N-[3-(4-hydroxy-3-methoxyphenyl)propyl]acetamide (PubChem CID 46884598) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[3-(4-hydroxy-3-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-hydroxy-3-methoxyphenyl)propyl]acetamide
PubChem CID46884598
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[3-(4-hydroxy-3-methoxyphenyl)propyl]acetamide
SMILESCOc1cc(CCCNC(C)=O)ccc1O
InChIInChI=1S/C12H17NO3/c1-9(14)13-7-3-4-10-5-6-11(15)12(8-10)16-2/h5-6,8,15H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyYOLSQHAXCLGSKL-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.47
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

Capsaicin
CID 1548943
Zucapsaicin
CID 1548942
Olvanil
CID 5311093
Dihydrocapsaicin
CID 107982
Nonivamide
CID 2998
3-Methoxytyramine
CID 1669
Arvanil
CID 6449767
4-O-Methyldopamine
CID 1748
N-Acetyldopamine
CID 100526
Nordihydrocapsaicin
CID 168836
Feruloyltyramine
CID 5280537
Metanephrine
CID 21100

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxy-3-methoxyphenyl)propyl]acetamide?
The IUPAC name of N-[3-(4-hydroxy-3-methoxyphenyl)propyl]acetamide (CID 46884598) is N-[3-(4-hydroxy-3-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for N-[3-(4-hydroxy-3-methoxyphenyl)propyl]acetamide?
The canonical SMILES for N-[3-(4-hydroxy-3-methoxyphenyl)propyl]acetamide is COc1cc(CCCNC(C)=O)ccc1O.
What is the InChIKey of N-[3-(4-hydroxy-3-methoxyphenyl)propyl]acetamide?
The InChIKey is YOLSQHAXCLGSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(14)13-7-3-4-10-5-6-11(15)12(8-10)16-2/h5-6,8,15H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of N-[3-(4-hydroxy-3-methoxyphenyl)propyl]acetamide?
N-[3-(4-hydroxy-3-methoxyphenyl)propyl]acetamide has a molecular weight of 223.27 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxy-3-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 46884598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).