N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide

C16H23ClN2O3 — CID 108958078

IUPACN-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)NCC(C)C)cc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-10(2)9-18-14(20)16(3,4)15(21)19-11-6-7-13(22-5)12(17)8-11/h6-8,10H,9H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyRBJOPTCIGPRWMG-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.09
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide

N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide (PubChem CID 108958078) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide
PubChem CID108958078
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)NCC(C)C)cc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-10(2)9-18-14(20)16(3,4)15(21)19-11-6-7-13(22-5)12(17)8-11/h6-8,10H,9H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyRBJOPTCIGPRWMG-UHFFFAOYSA-N
XLogP3.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043950
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 108993256
N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963572
N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969247
5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102217
1-(3-chloro-4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 47195717
3-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961265
N-(3,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962989
N-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide
CID 108968333
N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969258
1-(3-chloro-4-methoxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea
CID 10245038
3-chloro-4-methoxy-N-(2,3,3-trimethylbutyl)aniline
CID 114270442

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide (CID 108958078) is N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide is COc1ccc(NC(=O)C(C)(C)C(=O)NCC(C)C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide?
The InChIKey is RBJOPTCIGPRWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-10(2)9-18-14(20)16(3,4)15(21)19-11-6-7-13(22-5)12(17)8-11/h6-8,10H,9H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide?
N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide has a molecular weight of 326.82 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide is sourced from PubChem (CID 108958078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).