4-ethoxy-N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide

C18H28N2O4 — CID 78796479

IUPAC4-ethoxy-N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)N(CC)CCO)C(C)C)cc1
InChIInChI=1S/C18H28N2O4/c1-5-20(11-12-21)18(23)16(13(3)4)19-17(22)14-7-9-15(10-8-14)24-6-2/h7-10,13,16,21H,5-6,11-12H2,1-4H3,(H,19,22)
InChIKeyGVQWLIXLGJLEPL-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.68
Rot. Bonds9

About 4-ethoxy-N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide

4-ethoxy-N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 78796479) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 4-ethoxy-N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID78796479
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name4-ethoxy-N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)N(CC)CCO)C(C)C)cc1
InChIInChI=1S/C18H28N2O4/c1-5-20(11-12-21)18(23)16(13(3)4)19-17(22)14-7-9-15(10-8-14)24-6-2/h7-10,13,16,21H,5-6,11-12H2,1-4H3,(H,19,22)
InChIKeyGVQWLIXLGJLEPL-UHFFFAOYSA-N
XLogP1.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 78796304
4-ethoxy-N-[1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51148985
4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 78856899
(2S)-2-[[2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]propanoic acid
CID 119943039
4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
CID 81042787
2-chloro-N-[(2S)-1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 97191731
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-ethoxybenzamide
CID 77039288
4-ethoxy-N-[3-methyl-1-[2-(methylamino)ethylamino]-1-oxobutan-2-yl]benzamide
CID 119503972
N-[(2S)-1-[(2-bromophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 31215288
4-ethoxy-N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 42988135
4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]butan-2-yl]benzamide
CID 8892113
4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]butan-2-yl]benzamide
CID 8892114

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 78796479) is 4-ethoxy-N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide is CCOc1ccc(C(=O)NC(C(=O)N(CC)CCO)C(C)C)cc1.
What is the InChIKey of 4-ethoxy-N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is GVQWLIXLGJLEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-5-20(11-12-21)18(23)16(13(3)4)19-17(22)14-7-9-15(10-8-14)24-6-2/h7-10,13,16,21H,5-6,11-12H2,1-4H3,(H,19,22).
What are the key properties of 4-ethoxy-N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?
4-ethoxy-N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 336.43 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 78796479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).