4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide

C21H25N3O5 — CID 9438552

IUPAC4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N(C)CC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H25N3O5/c1-4-29-18-9-5-15(6-10-18)21(27)22-13-20(26)24(2)14-19(25)23-16-7-11-17(28-3)12-8-16/h5-12H,4,13-14H2,1-3H3,(H,22,27)(H,23,25)
InChIKeySTTYOAYCTWDEOO-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.92
Rot. Bonds9

About 4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide

4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide (PubChem CID 9438552) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
PubChem CID9438552
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N(C)CC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H25N3O5/c1-4-29-18-9-5-15(6-10-18)21(27)22-13-20(26)24(2)14-19(25)23-16-7-11-17(28-3)12-8-16/h5-12H,4,13-14H2,1-3H3,(H,22,27)(H,23,25)
InChIKeySTTYOAYCTWDEOO-UHFFFAOYSA-N
XLogP1.92
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide
CID 46755855
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 46637026
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
4-ethoxy-N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]benzamide
CID 134058778
2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
CID 45434962
2-ethoxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2481404
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9418791

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide (CID 9438552) is 4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)N(C)CC(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide?
The InChIKey is STTYOAYCTWDEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-4-29-18-9-5-15(6-10-18)21(27)22-13-20(26)24(2)14-19(25)23-16-7-11-17(28-3)12-8-16/h5-12H,4,13-14H2,1-3H3,(H,22,27)(H,23,25).
What are the key properties of 4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide?
4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9438552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).