N'-[4-(diethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]propanediamide

C22H29N3O3 — CID 108948602

IUPACN'-[4-(diethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)NCCc2ccccc2OC)cc1
InChIInChI=1S/C22H29N3O3/c1-4-25(5-2)19-12-10-18(11-13-19)24-22(27)16-21(26)23-15-14-17-8-6-7-9-20(17)28-3/h6-13H,4-5,14-16H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyIUABGSMJHYRSEJ-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.23
Rot. Bonds10

About N'-[4-(diethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]propanediamide

N'-[4-(diethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]propanediamide (PubChem CID 108948602) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N'-[4-(diethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-[4-(diethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]propanediamide
PubChem CID108948602
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN'-[4-(diethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)NCCc2ccccc2OC)cc1
InChIInChI=1S/C22H29N3O3/c1-4-25(5-2)19-12-10-18(11-13-19)24-22(27)16-21(26)23-15-14-17-8-6-7-9-20(17)28-3/h6-13H,4-5,14-16H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyIUABGSMJHYRSEJ-UHFFFAOYSA-N
XLogP3.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(dimethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7585527
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide
CID 108948559
1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977627
N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946916
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
2-[ethyl(2-hydroxyethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 37097170
1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea
CID 108900589
4-benzamido-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 55534844
2-(4-fluorophenyl)-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]acetamide
CID 112983523
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
2-[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111339269
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837

Frequently Asked Questions

What is the IUPAC name of N'-[4-(diethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]propanediamide?
The IUPAC name of N'-[4-(diethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]propanediamide (CID 108948602) is N'-[4-(diethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]propanediamide.
What is the SMILES notation for N'-[4-(diethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]propanediamide?
The canonical SMILES for N'-[4-(diethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]propanediamide is CCN(CC)c1ccc(NC(=O)CC(=O)NCCc2ccccc2OC)cc1.
What is the InChIKey of N'-[4-(diethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]propanediamide?
The InChIKey is IUABGSMJHYRSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-25(5-2)19-12-10-18(11-13-19)24-22(27)16-21(26)23-15-14-17-8-6-7-9-20(17)28-3/h6-13H,4-5,14-16H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N'-[4-(diethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]propanediamide?
N'-[4-(diethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]propanediamide has a molecular weight of 383.49 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(diethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]propanediamide is sourced from PubChem (CID 108948602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).