N-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide

C15H23ClN2O2 — CID 107204090

IUPACN-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN(C)CCCCCO
InChIInChI=1S/C15H23ClN2O2/c1-12-10-13(16)6-7-14(12)17-15(20)11-18(2)8-4-3-5-9-19/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,17,20)
InChIKeyHTKIRVIOSYFQFS-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.68
Rot. Bonds8

About N-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide

N-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide (PubChem CID 107204090) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
PubChem CID107204090
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN(C)CCCCCO
InChIInChI=1S/C15H23ClN2O2/c1-12-10-13(16)6-7-14(12)17-15(20)11-18(2)8-4-3-5-9-19/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,17,20)
InChIKeyHTKIRVIOSYFQFS-UHFFFAOYSA-N
XLogP2.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 81492824
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
2-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053133
2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 60507371
N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103
1-[(4-butylphenyl)methyl]-3-(4-chloro-2-methylphenyl)-1-(6-hydroxyhexyl)urea
CID 15137699
N-(4-amino-2,6-dichlorophenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107198287
N-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62014016
2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 110931433
2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103
N-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 114230839

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide (CID 107204090) is N-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide is Cc1cc(Cl)ccc1NC(=O)CN(C)CCCCCO.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide?
The InChIKey is HTKIRVIOSYFQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-12-10-13(16)6-7-14(12)17-15(20)11-18(2)8-4-3-5-9-19/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,17,20).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide?
N-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide has a molecular weight of 298.81 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide is sourced from PubChem (CID 107204090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).