N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide

C20H24N2O2 — CID 170027016

IUPACN-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNCC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H24N2O2/c1-14-4-7-17(8-5-14)20(24)22-11-10-21-13-19(23)18-9-6-15(2)16(3)12-18/h4-9,12,21H,10-11,13H2,1-3H3,(H,22,24)
InChIKeyYJMOJIOPDBGOII-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.81
Rot. Bonds7

About N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide

N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide (PubChem CID 170027016) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
PubChem CID170027016
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNCC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H24N2O2/c1-14-4-7-17(8-5-14)20(24)22-11-10-21-13-19(23)18-9-6-15(2)16(3)12-18/h4-9,12,21H,10-11,13H2,1-3H3,(H,22,24)
InChIKeyYJMOJIOPDBGOII-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone
CID 82101255
4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 60965904
N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 60966022
N-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide
CID 106437521
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 60966159
N-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide
CID 82101774
N-[2-(2-cyanoethylamino)ethyl]-4-methylbenzamide
CID 54880736
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
N-[2-[(4-iodophenyl)methylamino]ethyl]-4-methylbenzamide
CID 65476353

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide (CID 170027016) is N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNCC(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide?
The InChIKey is YJMOJIOPDBGOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-4-7-17(8-5-14)20(24)22-11-10-21-13-19(23)18-9-6-15(2)16(3)12-18/h4-9,12,21H,10-11,13H2,1-3H3,(H,22,24).
What are the key properties of N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide?
N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide has a molecular weight of 324.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 170027016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).