N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide

C17H26ClN3O3 — CID 60563426

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)CC(=O)N(C)C
InChIInChI=1S/C17H26ClN3O3/c1-6-7-21(11-17(23)20(3)4)10-16(22)19-14-8-12(2)13(18)9-15(14)24-5/h8-9H,6-7,10-11H2,1-5H3,(H,19,22)
InChIKeySJGACBWSYSXPGZ-UHFFFAOYSA-N
MW355.87 g/mol
LogP2.40
Rot. Bonds8

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide (PubChem CID 60563426) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide
PubChem CID60563426
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)CC(=O)N(C)C
InChIInChI=1S/C17H26ClN3O3/c1-6-7-21(11-17(23)20(3)4)10-16(22)19-14-8-12(2)13(18)9-15(14)24-5/h8-9H,6-7,10-11H2,1-5H3,(H,19,22)
InChIKeySJGACBWSYSXPGZ-UHFFFAOYSA-N
XLogP2.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158086
2-[butyl(2-hydroxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 110881535
2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158798
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 27202310
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160569
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111496926
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160948
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423108
2-[benzyl(ethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 18084887
N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide
CID 108528740
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
CID 109016508
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61007235

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide (CID 60563426) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide is CCCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)CC(=O)N(C)C.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide?
The InChIKey is SJGACBWSYSXPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3/c1-6-7-21(11-17(23)20(3)4)10-16(22)19-14-8-12(2)13(18)9-15(14)24-5/h8-9H,6-7,10-11H2,1-5H3,(H,19,22).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide has a molecular weight of 355.87 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 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-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide is sourced from PubChem (CID 60563426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).