4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide

C22H28N4O3 — CID 36638223

IUPAC4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C22H28N4O3/c1-4-26(14-21(28)25-19-8-5-15(2)16(3)13-19)12-11-20(27)24-18-9-6-17(7-10-18)22(23)29/h5-10,13H,4,11-12,14H2,1-3H3,(H2,23,29)(H,24,27)(H,25,28)
InChIKeyYVAQDMXXPHFTGX-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.69
Rot. Bonds9

About 4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide

4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide (PubChem CID 36638223) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
PubChem CID36638223
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C22H28N4O3/c1-4-26(14-21(28)25-19-8-5-15(2)16(3)13-19)12-11-20(27)24-18-9-6-17(7-10-18)22(23)29/h5-10,13H,4,11-12,14H2,1-3H3,(H2,23,29)(H,24,27)(H,25,28)
InChIKeyYVAQDMXXPHFTGX-UHFFFAOYSA-N
XLogP2.69
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
CID 36639429
N-(4-acetamidophenyl)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 8779925
N-(3,4-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033116
3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide
CID 24588858
2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61012683
4-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]propanoylamino]benzamide
CID 36638338
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
CID 82326677
N-(3,4-dimethylphenyl)-3-(N-ethylanilino)propanamide
CID 109035427
3-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 61009921
N-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide
CID 50955133
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
CID 54813705

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide?
The IUPAC name of 4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide (CID 36638223) is 4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide is CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide?
The InChIKey is YVAQDMXXPHFTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-4-26(14-21(28)25-19-8-5-15(2)16(3)13-19)12-11-20(27)24-18-9-6-17(7-10-18)22(23)29/h5-10,13H,4,11-12,14H2,1-3H3,(H2,23,29)(H,24,27)(H,25,28).
What are the key properties of 4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide?
4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide has a molecular weight of 396.49 g/mol, XLogP of 2.69, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide is sourced from PubChem (CID 36638223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).