2-ethoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

C22H28N2O4 — CID 4800188

IUPAC2-ethoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC(C(=O)NCc1ccccc1OC)C(C)C
InChIInChI=1S/C22H28N2O4/c1-5-28-19-13-9-7-11-17(19)21(25)24-20(15(2)3)22(26)23-14-16-10-6-8-12-18(16)27-4/h6-13,15,20H,5,14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyZWFXTYZSHPOOGU-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.16
Rot. Bonds9

About 2-ethoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

2-ethoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 4800188) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-ethoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID4800188
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-ethoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC(C(=O)NCc1ccccc1OC)C(C)C
InChIInChI=1S/C22H28N2O4/c1-5-28-19-13-9-7-11-17(19)21(25)24-20(15(2)3)22(26)23-14-16-10-6-8-12-18(16)27-4/h6-13,15,20H,5,14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyZWFXTYZSHPOOGU-UHFFFAOYSA-N
XLogP3.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Flecainide
CID 3356
Tiropramide
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Alloclamide
CID 71837
(2-Ethoxy-benzoylamino)-acetic acid
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PF-429242
CID 23661637
R-(-)-Flecainide
CID 6603850
Iodopride
CID 3082754
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 808577
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
(S)-2-(4-Diisopropylcarbamoyl-2-isopropoxy-benzoylamino)-4-methyl-pentanoic acid methyl ester
CID 11316476
Terephthalamide scaffold, 10
CID 11750522
2-{[3-(Piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218485

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 4800188) is 2-ethoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is CCOc1ccccc1C(=O)NC(C(=O)NCc1ccccc1OC)C(C)C.
What is the InChIKey of 2-ethoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is ZWFXTYZSHPOOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-28-19-13-9-7-11-17(19)21(25)24-20(15(2)3)22(26)23-14-16-10-6-8-12-18(16)27-4/h6-13,15,20H,5,14H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 2-ethoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
2-ethoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 4800188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).