N-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide

C19H22N4O3 — CID 86994865

IUPACN-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide
SMILESCCNC(=O)CNC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C
InChIInChI=1S/C19H22N4O3/c1-3-20-17(24)12-21-19(26)23-16-11-15(10-9-13(16)2)22-18(25)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,20,24)(H,22,25)(H2,21,23,26)
InChIKeyBOHPUVMFZMAEDZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.50
Rot. Bonds6

About N-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide

N-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide (PubChem CID 86994865) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide
PubChem CID86994865
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide
SMILESCCNC(=O)CNC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C
InChIInChI=1S/C19H22N4O3/c1-3-20-17(24)12-21-19(26)23-16-11-15(10-9-13(16)2)22-18(25)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,20,24)(H,22,25)(H2,21,23,26)
InChIKeyBOHPUVMFZMAEDZ-UHFFFAOYSA-N
XLogP2.50
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
CID 39193375
N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide
CID 22291056
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 47064079
N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462
N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide
CID 139878369
4-[[5-(ethylcarbamoylamino)-2-methylphenyl]carbamoylamino]butanoic acid
CID 122091932
N-(3-benzamido-4-methylphenyl)pyridine-3-carboxamide
CID 6486649
4-benzamido-N-ethylbenzamide
CID 17153265
N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 60536489

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide?
The IUPAC name of N-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide (CID 86994865) is N-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide?
The canonical SMILES for N-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide is CCNC(=O)CNC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C.
What is the InChIKey of N-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide?
The InChIKey is BOHPUVMFZMAEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-20-17(24)12-21-19(26)23-16-11-15(10-9-13(16)2)22-18(25)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,20,24)(H,22,25)(H2,21,23,26).
What are the key properties of N-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide?
N-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide is sourced from PubChem (CID 86994865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).