2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide

C19H21ClN2O3 — CID 91797524

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NC(c1ccccn1)C1CC(O)C1
InChIInChI=1S/C19H21ClN2O3/c1-12-8-14(20)5-6-17(12)25-11-18(24)22-19(13-9-15(23)10-13)16-4-2-3-7-21-16/h2-8,13,15,19,23H,9-11H2,1H3,(H,22,24)
InChIKeyGPPXNDBWURWJLT-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.05
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide (PubChem CID 91797524) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
PubChem CID91797524
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NC(c1ccccn1)C1CC(O)C1
InChIInChI=1S/C19H21ClN2O3/c1-12-8-14(20)5-6-17(12)25-11-18(24)22-19(13-9-15(23)10-13)16-4-2-3-7-21-16/h2-8,13,15,19,23H,9-11H2,1H3,(H,22,24)
InChIKeyGPPXNDBWURWJLT-UHFFFAOYSA-N
XLogP3.05
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide
CID 91764048
2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25386860
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide
CID 166269611
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide
CID 91773593
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide
CID 91782416
2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 55461093
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid
CID 81368508
2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 40585331
2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 16544805
(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822760

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide (CID 91797524) is 2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NC(c1ccccn1)C1CC(O)C1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide?
The InChIKey is GPPXNDBWURWJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12-8-14(20)5-6-17(12)25-11-18(24)22-19(13-9-15(23)10-13)16-4-2-3-7-21-16/h2-8,13,15,19,23H,9-11H2,1H3,(H,22,24).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide has a molecular weight of 360.84 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide is sourced from PubChem (CID 91797524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).