N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide

C21H25N3O4 — CID 7676792

IUPACN-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C21H25N3O4/c1-4-28-17-10-8-16(9-11-17)21(27)23-12-18(25)22-13-19(26)24-20-14(2)6-5-7-15(20)3/h5-11H,4,12-13H2,1-3H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyKLRUCLLDJRHOIN-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.19
Rot. Bonds8

About N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide

N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide (PubChem CID 7676792) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
PubChem CID7676792
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C21H25N3O4/c1-4-28-17-10-8-16(9-11-17)21(27)23-12-18(25)22-13-19(26)24-20-14(2)6-5-7-15(20)3/h5-11H,4,12-13H2,1-3H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyKLRUCLLDJRHOIN-UHFFFAOYSA-N
XLogP2.19
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 8008525
4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide
CID 56545372
4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide
CID 26713846
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 9412541
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
4-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166561

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide (CID 7676792) is N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)NCC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide?
The InChIKey is KLRUCLLDJRHOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-28-17-10-8-16(9-11-17)21(27)23-12-18(25)22-13-19(26)24-20-14(2)6-5-7-15(20)3/h5-11H,4,12-13H2,1-3H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide?
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide has a molecular weight of 383.45 g/mol, XLogP of 2.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide is sourced from PubChem (CID 7676792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).