4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide

C20H25N3O3 — CID 51139815

IUPAC4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide
SMILESCCN(c1ccc(NC(=O)COc2ccc(C(N)=O)cc2)cc1)C(C)C
InChIInChI=1S/C20H25N3O3/c1-4-23(14(2)3)17-9-7-16(8-10-17)22-19(24)13-26-18-11-5-15(6-12-18)20(21)25/h5-12,14H,4,13H2,1-3H3,(H2,21,25)(H,22,24)
InChIKeyCBJIMJFZJZJXCF-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.04
Rot. Bonds8

About 4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide

4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide (PubChem CID 51139815) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide
PubChem CID51139815
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide
SMILESCCN(c1ccc(NC(=O)COc2ccc(C(N)=O)cc2)cc1)C(C)C
InChIInChI=1S/C20H25N3O3/c1-4-23(14(2)3)17-9-7-16(8-10-17)22-19(24)13-26-18-11-5-15(6-12-18)20(21)25/h5-12,14H,4,13H2,1-3H3,(H2,21,25)(H,22,24)
InChIKeyCBJIMJFZJZJXCF-UHFFFAOYSA-N
XLogP3.04
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 3683660
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 46519873
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide
CID 134030275
2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 16518098
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 55316710
methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695222
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535814
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 46558813
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate
CID 16539849
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 55502829

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide (CID 51139815) is 4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide is CCN(c1ccc(NC(=O)COc2ccc(C(N)=O)cc2)cc1)C(C)C.
What is the InChIKey of 4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide?
The InChIKey is CBJIMJFZJZJXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-23(14(2)3)17-9-7-16(8-10-17)22-19(24)13-26-18-11-5-15(6-12-18)20(21)25/h5-12,14H,4,13H2,1-3H3,(H2,21,25)(H,22,24).
What are the key properties of 4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide?
4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide has a molecular weight of 355.44 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 51139815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).