2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide

C19H23ClN2O3 — CID 75385932

IUPAC2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)N(CCCO)Cc2ccncc2)c1
InChIInChI=1S/C19H23ClN2O3/c1-14-4-5-17(20)18(12-14)25-15(2)19(24)22(10-3-11-23)13-16-6-8-21-9-7-16/h4-9,12,15,23H,3,10-11,13H2,1-2H3
InChIKeyZOKRCIJFMUZGLH-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.22
Rot. Bonds8

About 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide

2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 75385932) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID75385932
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)N(CCCO)Cc2ccncc2)c1
InChIInChI=1S/C19H23ClN2O3/c1-14-4-5-17(20)18(12-14)25-15(2)19(24)22(10-3-11-23)13-16-6-8-21-9-7-16/h4-9,12,15,23H,3,10-11,13H2,1-2H3
InChIKeyZOKRCIJFMUZGLH-UHFFFAOYSA-N
XLogP3.22
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771866
2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide
CID 46997752
3-[2-(2-chloro-5-methylphenoxy)propanoyl-propan-2-ylamino]propanoic acid
CID 119207616
3-(2-chloro-4,6-dimethylphenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 74246739
(2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide
CID 94207951
N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide
CID 119656231
2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 119200706
N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133162903
N,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide
CID 4155805
2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one
CID 60623563
3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 71974542
2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide
CID 55837892

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide (CID 75385932) is 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide is Cc1ccc(Cl)c(OC(C)C(=O)N(CCCO)Cc2ccncc2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is ZOKRCIJFMUZGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-14-4-5-17(20)18(12-14)25-15(2)19(24)22(10-3-11-23)13-16-6-8-21-9-7-16/h4-9,12,15,23H,3,10-11,13H2,1-2H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide?
2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 362.86 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 75385932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).