N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide

C13H17NO3 — CID 113337518

IUPACN-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2(CO)CC2)cc1
InChIInChI=1S/C13H17NO3/c1-17-11-4-2-10(3-5-11)8-12(16)14-13(9-15)6-7-13/h2-5,15H,6-9H2,1H3,(H,14,16)
InChIKeyYKLOWFJFUQUDDY-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.88
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide

N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 113337518) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide
PubChem CID113337518
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2(CO)CC2)cc1
InChIInChI=1S/C13H17NO3/c1-17-11-4-2-10(3-5-11)8-12(16)14-13(9-15)6-7-13/h2-5,15H,6-9H2,1H3,(H,14,16)
InChIKeyYKLOWFJFUQUDDY-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 113344707
N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
CID 115878186
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503
2-(2-bromo-5-methoxyphenyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 110008417
(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
CID 42254545
N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide
CID 104630643
2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide
CID 115878692
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide
CID 110008578
N-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide
CID 90297722
N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide
CID 60968260
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308
N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 119564832

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide (CID 113337518) is N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC2(CO)CC2)cc1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is YKLOWFJFUQUDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-11-4-2-10(3-5-11)8-12(16)14-13(9-15)6-7-13/h2-5,15H,6-9H2,1H3,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide?
N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 235.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 113337518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).