4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

C20H23N3O4 — CID 9085515

IUPAC4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(OCC(N)=O)cc2)c1
InChIInChI=1S/C20H23N3O4/c1-13-4-5-14(2)17(10-13)22-19(25)11-23(3)20(26)15-6-8-16(9-7-15)27-12-18(21)24/h4-10H,11-12H2,1-3H3,(H2,21,24)(H,22,25)
InChIKeyZHMPPOPHBFAJBX-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.88
Rot. Bonds7

About 4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 9085515) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID9085515
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(OCC(N)=O)cc2)c1
InChIInChI=1S/C20H23N3O4/c1-13-4-5-14(2)17(10-13)22-19(25)11-23(3)20(26)15-6-8-16(9-7-15)27-12-18(21)24/h4-10H,11-12H2,1-3H3,(H2,21,24)(H,22,25)
InChIKeyZHMPPOPHBFAJBX-UHFFFAOYSA-N
XLogP1.88
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate
CID 8637864
[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678370
4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9479837
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8914643
4-(2-amino-2-oxoethoxy)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 9089019
3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 2672632
N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide
CID 54793156
4-(2-amino-2-oxoethoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 9092005
[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 7861654
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9479956
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9318892
4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide
CID 56546028

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (CID 9085515) is 4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(OCC(N)=O)cc2)c1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is ZHMPPOPHBFAJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-4-5-14(2)17(10-13)22-19(25)11-23(3)20(26)15-6-8-16(9-7-15)27-12-18(21)24/h4-10H,11-12H2,1-3H3,(H2,21,24)(H,22,25).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 369.42 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 9085515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).