N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

C19H22N4O3 — CID 54837724

IUPACN-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NC)cc2)c1
InChIInChI=1S/C19H22N4O3/c1-3-21-19(26)14-5-4-6-16(11-14)22-12-17(24)23-15-9-7-13(8-10-15)18(25)20-2/h4-11,22H,3,12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)
InChIKeyVDBSHDDMSFYRGZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.85
Rot. Bonds7

About N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54837724) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54837724
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NC)cc2)c1
InChIInChI=1S/C19H22N4O3/c1-3-21-19(26)14-5-4-6-16(11-14)22-12-17(24)23-15-9-7-13(8-10-15)18(25)20-2/h4-11,22H,3,12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)
InChIKeyVDBSHDDMSFYRGZ-UHFFFAOYSA-N
XLogP1.85
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833663
N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54837270
N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54839088
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
N-ethyl-3-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54837778
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451
N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54831796
3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54839782
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
CID 37176425

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 54837724) is N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is CCNC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NC)cc2)c1.
What is the InChIKey of N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is VDBSHDDMSFYRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-21-19(26)14-5-4-6-16(11-14)22-12-17(24)23-15-9-7-13(8-10-15)18(25)20-2/h4-11,22H,3,12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24).
What are the key properties of N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 354.41 g/mol, XLogP of 1.85, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54837724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).