N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide

C20H25N3O2 — CID 47064079

IUPACN-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide
SMILESCCN(CC)C(=O)CNc1cc(NC(=O)c2ccccc2)ccc1C
InChIInChI=1S/C20H25N3O2/c1-4-23(5-2)19(24)14-21-18-13-17(12-11-15(18)3)22-20(25)16-9-7-6-8-10-16/h6-13,21H,4-5,14H2,1-3H3,(H,22,25)
InChIKeyJEGOTGGZGVYHTL-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.53
Rot. Bonds7

About N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide

N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide (PubChem CID 47064079) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide
PubChem CID47064079
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide
SMILESCCN(CC)C(=O)CNc1cc(NC(=O)c2ccccc2)ccc1C
InChIInChI=1S/C20H25N3O2/c1-4-23(5-2)19(24)14-21-18-13-17(12-11-15(18)3)22-20(25)16-9-7-6-8-10-16/h6-13,21H,4-5,14H2,1-3H3,(H,22,25)
InChIKeyJEGOTGGZGVYHTL-UHFFFAOYSA-N
XLogP3.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
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-acetylpiperazin-1-yl)-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 60536489
3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 60537383
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide
CID 86994865
N-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
CID 55894113
N-[4-methyl-3-[[2-(4-methyl-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 55897358
N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide
CID 22291056
N-(3-benzamido-4-methylphenyl)pyridine-3-carboxamide
CID 6486649
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427
N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
CID 39193375
N-[3-[[3-(dimethylsulfamoyl)phenyl]methylamino]-4-methylphenyl]benzamide
CID 55898387

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide?
The IUPAC name of N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide (CID 47064079) is N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide?
The canonical SMILES for N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide is CCN(CC)C(=O)CNc1cc(NC(=O)c2ccccc2)ccc1C.
What is the InChIKey of N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide?
The InChIKey is JEGOTGGZGVYHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-23(5-2)19(24)14-21-18-13-17(12-11-15(18)3)22-20(25)16-9-7-6-8-10-16/h6-13,21H,4-5,14H2,1-3H3,(H,22,25).
What are the key properties of N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide?
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide is sourced from PubChem (CID 47064079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).