N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide

C16H23ClN2O3 — CID 108528740

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C16H23ClN2O3/c1-5-7-19(8-6-2)16(21)15(20)18-13-9-11(3)12(17)10-14(13)22-4/h9-10H,5-8H2,1-4H3,(H,18,20)
InChIKeyXVGBCLKXBGESOL-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.24
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide (PubChem CID 108528740) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide
PubChem CID108528740
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C16H23ClN2O3/c1-5-7-19(8-6-2)16(21)15(20)18-13-9-11(3)12(17)10-14(13)22-4/h9-10H,5-8H2,1-4H3,(H,18,20)
InChIKeyXVGBCLKXBGESOL-UHFFFAOYSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158086
N'-benzyl-N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2-hydroxyethyl)oxamide
CID 108523848
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521016
2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158798
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-ethylphenyl)oxamide
CID 108530380
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503847
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide
CID 60563426
4-(4-chloro-2-methoxy-5-methylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991531
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide
CID 108940764
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide (CID 108528740) is N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide is CCCN(CCC)C(=O)C(=O)Nc1cc(C)c(Cl)cc1OC.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide?
The InChIKey is XVGBCLKXBGESOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-5-7-19(8-6-2)16(21)15(20)18-13-9-11(3)12(17)10-14(13)22-4/h9-10H,5-8H2,1-4H3,(H,18,20).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide has a molecular weight of 326.82 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide is sourced from PubChem (CID 108528740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).