N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide

C20H32N2O3 — CID 56553165

IUPACN-(3-propoxyphenyl)-N',N'-dipropylpentanediamide
SMILESCCCOc1cccc(NC(=O)CCCC(=O)N(CCC)CCC)c1
InChIInChI=1S/C20H32N2O3/c1-4-13-22(14-5-2)20(24)12-8-11-19(23)21-17-9-7-10-18(16-17)25-15-6-3/h7,9-10,16H,4-6,8,11-15H2,1-3H3,(H,21,23)
InChIKeyYNJCPCXMQZJEBV-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.23
Rot. Bonds12

About N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide

N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide (PubChem CID 56553165) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-(3-propoxyphenyl)-N',N'-dipropylpentanediamide
PubChem CID56553165
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-(3-propoxyphenyl)-N',N'-dipropylpentanediamide
SMILESCCCOc1cccc(NC(=O)CCCC(=O)N(CCC)CCC)c1
InChIInChI=1S/C20H32N2O3/c1-4-13-22(14-5-2)20(24)12-8-11-19(23)21-17-9-7-10-18(16-17)25-15-6-3/h7,9-10,16H,4-6,8,11-15H2,1-3H3,(H,21,23)
InChIKeyYNJCPCXMQZJEBV-UHFFFAOYSA-N
XLogP4.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-propoxyphenyl)-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,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
2-(dimethylamino)-N-(3-propoxyphenyl)acetamide
CID 54843924
N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294
2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate
CID 56552310
N-[3-(2-ethoxyethoxy)phenyl]tetradecanamide
CID 54789458
3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide
CID 60849225
2-(ethylamino)-N-(3-propoxyphenyl)acetamide
CID 54820704
6-(3-ethoxyanilino)-6-oxohexanoic acid
CID 54866810
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide
CID 119885809
3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide
CID 54795378
N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide
CID 26161290

Frequently Asked Questions

What is the IUPAC name of N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide?
The IUPAC name of N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide (CID 56553165) is N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide?
The canonical SMILES for N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide is CCCOc1cccc(NC(=O)CCCC(=O)N(CCC)CCC)c1.
What is the InChIKey of N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide?
The InChIKey is YNJCPCXMQZJEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-4-13-22(14-5-2)20(24)12-8-11-19(23)21-17-9-7-10-18(16-17)25-15-6-3/h7,9-10,16H,4-6,8,11-15H2,1-3H3,(H,21,23).
What are the key properties of N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide?
N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide has a molecular weight of 348.49 g/mol, XLogP of 4.23, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56553165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).