3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide

C21H26N4O4 — CID 17427292

IUPAC3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN(CCC(N)=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C21H26N4O4/c1-3-23-21(28)15-5-4-6-16(13-15)24-20(27)14-25(12-11-19(22)26)17-7-9-18(29-2)10-8-17/h4-10,13H,3,11-12,14H2,1-2H3,(H2,22,26)(H,23,28)(H,24,27)
InChIKeyCLJIOUVBKYNSMU-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.77
Rot. Bonds10

About 3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide

3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide (PubChem CID 17427292) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide
PubChem CID17427292
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN(CCC(N)=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C21H26N4O4/c1-3-23-21(28)15-5-4-6-16(13-15)24-20(27)14-25(12-11-19(22)26)17-7-9-18(29-2)10-8-17/h4-10,13H,3,11-12,14H2,1-2H3,(H2,22,26)(H,23,28)(H,24,27)
InChIKeyCLJIOUVBKYNSMU-UHFFFAOYSA-N
XLogP1.77
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18124684
3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 24561184
N-ethyl-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17230663
3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18103265
3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 86891096
N-[3-(ethylcarbamoyl)phenyl]-6-methoxyquinoline-2-carboxamide
CID 17410272
methyl 4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methylsulfonylamino]benzoate
CID 56539827
N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 31287562
N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825883
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-propylbenzamide
CID 17222629
methyl 3-[3-(N-acetyl-4-methoxyanilino)propanoylamino]benzoate
CID 113129180
3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide
CID 8695112

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide (CID 17427292) is 3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)CN(CCC(N)=O)c2ccc(OC)cc2)c1.
What is the InChIKey of 3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide?
The InChIKey is CLJIOUVBKYNSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-3-23-21(28)15-5-4-6-16(13-15)24-20(27)14-25(12-11-19(22)26)17-7-9-18(29-2)10-8-17/h4-10,13H,3,11-12,14H2,1-2H3,(H2,22,26)(H,23,28)(H,24,27).
What are the key properties of 3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide?
3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide has a molecular weight of 398.46 g/mol, XLogP of 1.77, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 17427292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).