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

C15H21ClN2O3 — CID 108943310

IUPACN'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide
SMILESCOCCCNC(=O)CC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-21-9-3-7-17-14(19)11-15(20)18-8-6-12-4-2-5-13(16)10-12/h2,4-5,10H,3,6-9,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyPRIDUHLRNIZOHS-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.54
Rot. Bonds9

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

N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide (PubChem CID 108943310) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide.

Molecular Properties

Compound NameN'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide
PubChem CID108943310
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide
SMILESCOCCCNC(=O)CC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-21-9-3-7-17-14(19)11-15(20)18-8-6-12-4-2-5-13(16)10-12/h2,4-5,10H,3,6-9,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyPRIDUHLRNIZOHS-UHFFFAOYSA-N
XLogP1.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.54
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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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959695
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577
methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate
CID 112995851
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
1-[(3-chlorophenyl)methyl]-3-(4-methoxybutyl)urea
CID 47217383
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
N-[2-(3-chlorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide
CID 113149307
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945758
1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea
CID 47440630
6-[2-(3-chlorophenyl)ethylamino]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365227
N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide
CID 108952578

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide?
The IUPAC name of N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide (CID 108943310) is N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide.
What is the SMILES notation for N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide?
The canonical SMILES for N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide is COCCCNC(=O)CC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide?
The InChIKey is PRIDUHLRNIZOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-21-9-3-7-17-14(19)11-15(20)18-8-6-12-4-2-5-13(16)10-12/h2,4-5,10H,3,6-9,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide?
N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide has a molecular weight of 312.80 g/mol, XLogP of 1.54, 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)propanediamide is sourced from PubChem (CID 108943310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).