N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide

C23H30N4O3 — CID 54832534

IUPACN,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2cccc(C(=O)N(CC)CC)c2)ccc1C
InChIInChI=1S/C23H30N4O3/c1-5-21(28)26-20-14-19(12-11-16(20)4)25-22(29)15-24-18-10-8-9-17(13-18)23(30)27(6-2)7-3/h8-14,24H,5-7,15H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyICHBIXICKPNMKW-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.88
Rot. Bonds9

About N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide

N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54832534) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54832534
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2cccc(C(=O)N(CC)CC)c2)ccc1C
InChIInChI=1S/C23H30N4O3/c1-5-21(28)26-20-14-19(12-11-16(20)4)25-22(29)15-24-18-10-8-9-17(13-18)23(30)27(6-2)7-3/h8-14,24H,5-7,15H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyICHBIXICKPNMKW-UHFFFAOYSA-N
XLogP3.88
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-(2-methoxyethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54838931
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832742
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832690
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54842706
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209
2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide
CID 60536243

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide (CID 54832534) is N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide is CCC(=O)Nc1cc(NC(=O)CNc2cccc(C(=O)N(CC)CC)c2)ccc1C.
What is the InChIKey of N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is ICHBIXICKPNMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-5-21(28)26-20-14-19(12-11-16(20)4)25-22(29)15-24-18-10-8-9-17(13-18)23(30)27(6-2)7-3/h8-14,24H,5-7,15H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 410.52 g/mol, XLogP of 3.88, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54832534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).