N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide

C15H23ClN2O3 — CID 111496926

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN(C)CCC(C)O
InChIInChI=1S/C15H23ClN2O3/c1-10-7-13(14(21-4)8-12(10)16)17-15(20)9-18(3)6-5-11(2)19/h7-8,11,19H,5-6,9H2,1-4H3,(H,17,20)
InChIKeyMJNIDUSYCYYFAR-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.30
Rot. Bonds7

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide (PubChem CID 111496926) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
PubChem CID111496926
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN(C)CCC(C)O
InChIInChI=1S/C15H23ClN2O3/c1-10-7-13(14(21-4)8-12(10)16)17-15(20)9-18(3)6-5-11(2)19/h7-8,11,19H,5-6,9H2,1-4H3,(H,17,20)
InChIKeyMJNIDUSYCYYFAR-UHFFFAOYSA-N
XLogP2.30
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 27203066
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160948
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160569
2-[acetyl(2-methylpropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158996
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 27249569
2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158086
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide
CID 60563426
2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158798
2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113159978
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
CID 111488552

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide (CID 111496926) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide is COc1cc(Cl)c(C)cc1NC(=O)CN(C)CCC(C)O.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
The InChIKey is MJNIDUSYCYYFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-10-7-13(14(21-4)8-12(10)16)17-15(20)9-18(3)6-5-11(2)19/h7-8,11,19H,5-6,9H2,1-4H3,(H,17,20).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide has a molecular weight of 314.81 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide is sourced from PubChem (CID 111496926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).