3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide

C23H29N3O5 — CID 55635770

IUPAC3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1OCC
InChIInChI=1S/C23H29N3O5/c1-5-30-19-11-10-16(12-20(19)31-6-2)23(29)24-14-21(27)25-17-8-7-9-18(13-17)26-22(28)15(3)4/h7-13,15H,5-6,14H2,1-4H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyVNYYZMWNKPGKGS-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.45
Rot. Bonds10

About 3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide

3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide (PubChem CID 55635770) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
PubChem CID55635770
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1OCC
InChIInChI=1S/C23H29N3O5/c1-5-30-19-11-10-16(12-20(19)31-6-2)23(29)24-14-21(27)25-17-8-7-9-18(13-17)26-22(28)15(3)4/h7-13,15H,5-6,14H2,1-4H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyVNYYZMWNKPGKGS-UHFFFAOYSA-N
XLogP3.45
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 55847529
3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide
CID 55946843
4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
CID 55635839
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817227
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 38105972
3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 55834639
N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54831796
3-chloro-4-ethoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 21213503
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 38556550
N-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 46586806
N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 60851547

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide (CID 55635770) is 3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide?
The InChIKey is VNYYZMWNKPGKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-5-30-19-11-10-16(12-20(19)31-6-2)23(29)24-14-21(27)25-17-8-7-9-18(13-17)26-22(28)15(3)4/h7-13,15H,5-6,14H2,1-4H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of 3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide?
3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide has a molecular weight of 427.50 g/mol, XLogP of 3.45, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55635770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).