N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide

C19H30ClN3O2 — CID 3939091

IUPACN-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide
SMILESCCN(CC)CCNC(=O)CCCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H30ClN3O2/c1-3-23(4-2)15-14-22-19(25)7-5-6-18(24)21-13-12-16-8-10-17(20)11-9-16/h8-11H,3-7,12-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJCYYAYSODOKHEO-UHFFFAOYSA-N
MW367.92 g/mol
LogP2.63
Rot. Bonds12

About N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide

N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide (PubChem CID 3939091) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide
PubChem CID3939091
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide
SMILESCCN(CC)CCNC(=O)CCCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H30ClN3O2/c1-3-23(4-2)15-14-22-19(25)7-5-6-18(24)21-13-12-16-8-10-17(20)11-9-16/h8-11H,3-7,12-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJCYYAYSODOKHEO-UHFFFAOYSA-N
XLogP2.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide
CID 51362720
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide
CID 112759806
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
N-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide
CID 71213941
N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide
CID 109021668
N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113119608
4-chloro-N-[2-(diethylamino)ethyl]butanamide
CID 16784552
tert-butyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate
CID 9211021
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide (CID 3939091) is N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide is CCN(CC)CCNC(=O)CCCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide?
The InChIKey is JCYYAYSODOKHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O2/c1-3-23(4-2)15-14-22-19(25)7-5-6-18(24)21-13-12-16-8-10-17(20)11-9-16/h8-11H,3-7,12-15H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide?
N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide has a molecular weight of 367.92 g/mol, XLogP of 2.63, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide is sourced from PubChem (CID 3939091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).