N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide

C21H26N2O4 — CID 108949889

IUPACN'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide
SMILESCOc1ccc(CNC(=O)CC(=O)NCCCc2ccccc2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-26-18-11-10-17(13-19(18)27-2)15-23-21(25)14-20(24)22-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZKCMTESMDACPRG-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.46
Rot. Bonds10

About N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide

N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide (PubChem CID 108949889) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide.

Molecular Properties

Compound NameN'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide
PubChem CID108949889
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide
SMILESCOc1ccc(CNC(=O)CC(=O)NCCCc2ccccc2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-26-18-11-10-17(13-19(18)27-2)15-23-21(25)14-20(24)22-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZKCMTESMDACPRG-UHFFFAOYSA-N
XLogP2.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
CID 119754650
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea
CID 48559749
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
CID 108946228
2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99609358
(2S)-2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119306736
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide
CID 48586236
2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide
CID 110288813
2-(3,4-dimethoxyphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464992

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide?
The IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide (CID 108949889) is N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide.
What is the SMILES notation for N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide?
The canonical SMILES for N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide is COc1ccc(CNC(=O)CC(=O)NCCCc2ccccc2)cc1OC.
What is the InChIKey of N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide?
The InChIKey is ZKCMTESMDACPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-26-18-11-10-17(13-19(18)27-2)15-23-21(25)14-20(24)22-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14-15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide?
N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide has a molecular weight of 370.45 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide is sourced from PubChem (CID 108949889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).