N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide

C17H25ClN2O3 — CID 108959695

IUPACN-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
SMILESCOCCCNC(=O)C(C)(C)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O3/c1-17(2,15(21)19-9-5-11-23-3)16(22)20-10-8-13-6-4-7-14(18)12-13/h4,6-7,12H,5,8-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyCHGXBLRDRJVNEV-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.18
Rot. Bonds9

About N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide

N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide (PubChem CID 108959695) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
PubChem CID108959695
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
SMILESCOCCCNC(=O)C(C)(C)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O3/c1-17(2,15(21)19-9-5-11-23-3)16(22)20-10-8-13-6-4-7-14(18)12-13/h4,6-7,12H,5,8-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyCHGXBLRDRJVNEV-UHFFFAOYSA-N
XLogP2.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide (CID 108959695) is N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide is COCCCNC(=O)C(C)(C)C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
The InChIKey is CHGXBLRDRJVNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-17(2,15(21)19-9-5-11-23-3)16(22)20-10-8-13-6-4-7-14(18)12-13/h4,6-7,12H,5,8-11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide has a molecular weight of 340.85 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108959695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).