N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide

C13H17NO3 — CID 141315401

IUPACN-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CO)c(OCC2CC2)c1
InChIInChI=1S/C13H17NO3/c1-9(16)14-12-5-4-11(7-15)13(6-12)17-8-10-2-3-10/h4-6,10,15H,2-3,7-8H2,1H3,(H,14,16)
InChIKeyCJUOKAMESYYHRP-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.93
Rot. Bonds5

About N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide

N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide (PubChem CID 141315401) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide
PubChem CID141315401
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CO)c(OCC2CC2)c1
InChIInChI=1S/C13H17NO3/c1-9(16)14-12-5-4-11(7-15)13(6-12)17-8-10-2-3-10/h4-6,10,15H,2-3,7-8H2,1H3,(H,14,16)
InChIKeyCJUOKAMESYYHRP-UHFFFAOYSA-N
XLogP1.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide (CID 141315401) is N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide is CC(=O)Nc1ccc(CO)c(OCC2CC2)c1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide?
The InChIKey is CJUOKAMESYYHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(16)14-12-5-4-11(7-15)13(6-12)17-8-10-2-3-10/h4-6,10,15H,2-3,7-8H2,1H3,(H,14,16).
What are the key properties of N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide?
N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide has a molecular weight of 235.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 141315401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).