3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide

C15H20ClNO3 — CID 109480246

IUPAC3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide
SMILESCC(Cc1ccc(Cl)cc1)C(=O)NCC1(CO)COC1
InChIInChI=1S/C15H20ClNO3/c1-11(6-12-2-4-13(16)5-3-12)14(19)17-7-15(8-18)9-20-10-15/h2-5,11,18H,6-10H2,1H3,(H,17,19)
InChIKeyYQKHWPIIJJFFJQ-UHFFFAOYSA-N
MW297.78 g/mol
LogP1.64
Rot. Bonds6

About 3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide

3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide (PubChem CID 109480246) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide
PubChem CID109480246
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide
SMILESCC(Cc1ccc(Cl)cc1)C(=O)NCC1(CO)COC1
InChIInChI=1S/C15H20ClNO3/c1-11(6-12-2-4-13(16)5-3-12)14(19)17-7-15(8-18)9-20-10-15/h2-5,11,18H,6-10H2,1H3,(H,17,19)
InChIKeyYQKHWPIIJJFFJQ-UHFFFAOYSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 97244080
3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide
CID 110310285
3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
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3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
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(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 793554
methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid
CID 160717719

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide (CID 109480246) is 3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide is CC(Cc1ccc(Cl)cc1)C(=O)NCC1(CO)COC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide?
The InChIKey is YQKHWPIIJJFFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-11(6-12-2-4-13(16)5-3-12)14(19)17-7-15(8-18)9-20-10-15/h2-5,11,18H,6-10H2,1H3,(H,17,19).
What are the key properties of 3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide?
3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide has a molecular weight of 297.78 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 109480246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).