N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide

C21H27N3O2 — CID 108954138

IUPACN-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-23(5-2)18-14-12-17(13-15-18)22-20(25)16-21(26)24(6-3)19-10-8-7-9-11-19/h7-15H,4-6,16H2,1-3H3,(H,22,25)
InChIKeyRWKYJRHHSXKHCO-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.91
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide

N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide (PubChem CID 108954138) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide
PubChem CID108954138
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-23(5-2)18-14-12-17(13-15-18)22-20(25)16-21(26)24(6-3)19-10-8-7-9-11-19/h7-15H,4-6,16H2,1-3H3,(H,22,25)
InChIKeyRWKYJRHHSXKHCO-UHFFFAOYSA-N
XLogP3.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108956266
2-[4-(diethylamino)anilino]-N-phenylacetamide
CID 70365941
N-[4-(diethylamino)phenyl]-2-isocyanoacetamide
CID 108814829
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 55817357
N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
CID 108953543
N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108954726
2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 27133835
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide
CID 42970232

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide (CID 108954138) is N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide is CCN(CC)c1ccc(NC(=O)CC(=O)N(CC)c2ccccc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide?
The InChIKey is RWKYJRHHSXKHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-23(5-2)18-14-12-17(13-15-18)22-20(25)16-21(26)24(6-3)19-10-8-7-9-11-19/h7-15H,4-6,16H2,1-3H3,(H,22,25).
What are the key properties of N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide?
N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide has a molecular weight of 353.47 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide is sourced from PubChem (CID 108954138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).