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

C26H36N2O3 — CID 56546256

IUPACN-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C26H36N2O3/c1-3-16-28(17-4-2)26(30)15-9-14-25(29)27-19-23-12-8-13-24(18-23)21-31-20-22-10-6-5-7-11-22/h5-8,10-13,18H,3-4,9,14-17,19-21H2,1-2H3,(H,27,29)
InChIKeyWAHHZAGSPZHDOV-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.84
Rot. Bonds14

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

N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide (PubChem CID 56546256) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
PubChem CID56546256
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C26H36N2O3/c1-3-16-28(17-4-2)26(30)15-9-14-25(29)27-19-23-12-8-13-24(18-23)21-31-20-22-10-6-5-7-11-22/h5-8,10-13,18H,3-4,9,14-17,19-21H2,1-2H3,(H,27,29)
InChIKeyWAHHZAGSPZHDOV-UHFFFAOYSA-N
XLogP4.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(phenylmethoxymethyl)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-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56545187
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56545515
1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea
CID 86867283
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546459
N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide
CID 46465050
5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid
CID 54896405
2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55824699
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide
CID 56540899
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546081
N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 46487585

Frequently Asked Questions

What is the IUPAC name of N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide?
The IUPAC name of N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide (CID 56546256) is N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)NCc1cccc(COCc2ccccc2)c1.
What is the InChIKey of N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide?
The InChIKey is WAHHZAGSPZHDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-3-16-28(17-4-2)26(30)15-9-14-25(29)27-19-23-12-8-13-24(18-23)21-31-20-22-10-6-5-7-11-22/h5-8,10-13,18H,3-4,9,14-17,19-21H2,1-2H3,(H,27,29).
What are the key properties of N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide?
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide has a molecular weight of 424.59 g/mol, XLogP of 4.84, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56546256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).