N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide

C23H39N3O2 — CID 56545187

IUPACN-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCc1cccc(CN(CC)CC)c1
InChIInChI=1S/C23H39N3O2/c1-5-15-26(16-6-2)23(28)14-10-13-22(27)24-18-20-11-9-12-21(17-20)19-25(7-3)8-4/h9,11-12,17H,5-8,10,13-16,18-19H2,1-4H3,(H,24,27)
InChIKeyFHZULSKNTIGIQP-UHFFFAOYSA-N
MW389.58 g/mol
LogP3.96
Rot. Bonds14

About N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide

N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide (PubChem CID 56545187) has the molecular formula C23H39N3O2 and a molecular weight of 389.58 g/mol. Its IUPAC name is N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
PubChem CID56545187
Molecular FormulaC23H39N3O2
Molecular Weight389.58 g/mol
Exact Mass389.30
IUPAC NameN-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCc1cccc(CN(CC)CC)c1
InChIInChI=1S/C23H39N3O2/c1-5-15-26(16-6-2)23(28)14-10-13-22(27)24-18-20-11-9-12-21(17-20)19-25(7-3)8-4/h9,11-12,17H,5-8,10,13-16,18-19H2,1-4H3,(H,24,27)
InChIKeyFHZULSKNTIGIQP-UHFFFAOYSA-N
XLogP3.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546256
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56545515
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546459
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide
CID 55768894
N-[[3-[[ethyl(propyl)amino]methyl]phenyl]methyl]acetamide
CID 143915548
N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703880
N-[[3-(diethylaminomethyl)phenyl]methyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 55855300
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546425
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546081
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 55769274
N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78902086

Frequently Asked Questions

What is the IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide?
The IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide (CID 56545187) is N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)NCc1cccc(CN(CC)CC)c1.
What is the InChIKey of N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide?
The InChIKey is FHZULSKNTIGIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O2/c1-5-15-26(16-6-2)23(28)14-10-13-22(27)24-18-20-11-9-12-21(17-20)19-25(7-3)8-4/h9,11-12,17H,5-8,10,13-16,18-19H2,1-4H3,(H,24,27).
What are the key properties of N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide?
N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide has a molecular weight of 389.58 g/mol, XLogP of 3.96, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56545187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).