N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide

C22H29N3O4 — CID 108955947

IUPACN-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)Nc2cc(OC)ccc2OC)c(C)c1
InChIInChI=1S/C22H29N3O4/c1-6-25(7-2)16-8-10-18(15(3)12-16)23-21(26)14-22(27)24-19-13-17(28-4)9-11-20(19)29-5/h8-13H,6-7,14H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyFUXPPNRLBIMAMQ-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.83
Rot. Bonds9

About N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide

N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide (PubChem CID 108955947) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide
PubChem CID108955947
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)Nc2cc(OC)ccc2OC)c(C)c1
InChIInChI=1S/C22H29N3O4/c1-6-25(7-2)16-8-10-18(15(3)12-16)23-21(26)14-22(27)24-19-13-17(28-4)9-11-20(19)29-5/h8-13H,6-7,14H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyFUXPPNRLBIMAMQ-UHFFFAOYSA-N
XLogP3.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009543
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001260
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide
CID 109039466
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 113001657
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
2-(diethylamino)-N-(2,5-dimethoxyphenyl)acetamide
CID 11666162
1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868243
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide (CID 108955947) is N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide is CCN(CC)c1ccc(NC(=O)CC(=O)Nc2cc(OC)ccc2OC)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide?
The InChIKey is FUXPPNRLBIMAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-6-25(7-2)16-8-10-18(15(3)12-16)23-21(26)14-22(27)24-19-13-17(28-4)9-11-20(19)29-5/h8-13H,6-7,14H2,1-5H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide?
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide has a molecular weight of 399.49 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide is sourced from PubChem (CID 108955947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).