N-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide

C18H26N2O3 — CID 108958662

IUPACN-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)(C)C(=O)NC1CCCC1
InChIInChI=1S/C18H26N2O3/c1-12-9-10-15(23-4)14(11-12)20-17(22)18(2,3)16(21)19-13-7-5-6-8-13/h9-11,13H,5-8H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyPOUIASMCKKSVFJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.03
Rot. Bonds5

About N-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide

N-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108958662) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
PubChem CID108958662
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)(C)C(=O)NC1CCCC1
InChIInChI=1S/C18H26N2O3/c1-12-9-10-15(23-4)14(11-12)20-17(22)18(2,3)16(21)19-13-7-5-6-8-13/h9-11,13H,5-8H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyPOUIASMCKKSVFJ-UHFFFAOYSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.03
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

N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108959041
N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108967888
6-N-cyclohexyl-2-N-(2-methoxy-5-methylphenyl)pyridine-2,6-dicarboxamide
CID 109095367
1-N-cyclopropyl-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144779
N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969538
N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108966089
N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959069
N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108958708
N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963733
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
2-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide
CID 110438702
1-N,3-N-bis(2-methoxy-5-methylphenyl)cyclohexane-1,3-dicarboxamide
CID 60594031

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide (CID 108958662) is N-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide is COc1ccc(C)cc1NC(=O)C(C)(C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is POUIASMCKKSVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12-9-10-15(23-4)14(11-12)20-17(22)18(2,3)16(21)19-13-7-5-6-8-13/h9-11,13H,5-8H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide?
N-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 318.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108958662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).