N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide

C25H26N2O2 — CID 55891914

IUPACN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1)c1ccccc1
InChIInChI=1S/C25H26N2O2/c1-4-27(23-8-6-5-7-9-23)24(28)17-20-11-14-22(15-12-20)26-25(29)21-13-10-18(2)19(3)16-21/h5-16H,4,17H2,1-3H3,(H,26,29)
InChIKeyLSFAMQFYRLFOMX-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.15
Rot. Bonds6

About N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide

N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide (PubChem CID 55891914) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide
PubChem CID55891914
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1)c1ccccc1
InChIInChI=1S/C25H26N2O2/c1-4-27(23-8-6-5-7-9-23)24(28)17-20-11-14-22(15-12-20)26-25(29)21-13-10-18(2)19(3)16-21/h5-16H,4,17H2,1-3H3,(H,26,29)
InChIKeyLSFAMQFYRLFOMX-UHFFFAOYSA-N
XLogP5.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55890640
4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide
CID 55891149
3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 60537383
4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide
CID 55891532
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 60533242
4-N-(3,4-dimethylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091876
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 55817357
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
CID 64793175
N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 1243669
2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide
CID 55817645
1-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717908

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide (CID 55891914) is N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide is CCN(C(=O)Cc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide?
The InChIKey is LSFAMQFYRLFOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-4-27(23-8-6-5-7-9-23)24(28)17-20-11-14-22(15-12-20)26-25(29)21-13-10-18(2)19(3)16-21/h5-16H,4,17H2,1-3H3,(H,26,29).
What are the key properties of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide?
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide has a molecular weight of 386.50 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 55891914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).