2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide

C14H20ClNO2 — CID 112779196

IUPAC2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C14H20ClNO2/c1-4-12(5-2)16-14(17)9-18-13-7-6-11(15)8-10(13)3/h6-8,12H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyAEOXPBWLZOJPHZ-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.33
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide

2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide (PubChem CID 112779196) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
PubChem CID112779196
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C14H20ClNO2/c1-4-12(5-2)16-14(17)9-18-13-7-6-11(15)8-10(13)3/h6-8,12H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyAEOXPBWLZOJPHZ-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 119664820
(2S)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]butanedioic acid
CID 112732976
2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide
CID 63364503
methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-methylbutanoate
CID 43404158
2-(4-chloro-2-methylphenoxy)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide
CID 91764048
(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822760
2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
CID 62074581
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910
2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 16544805
2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 40585331

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide (CID 112779196) is 2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide?
The InChIKey is AEOXPBWLZOJPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-12(5-2)16-14(17)9-18-13-7-6-11(15)8-10(13)3/h6-8,12H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide?
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide has a molecular weight of 269.77 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide is sourced from PubChem (CID 112779196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).