4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide

C17H26N2O4 — CID 78856899

IUPAC4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)NC(C)CO)C(C)C)cc1
InChIInChI=1S/C17H26N2O4/c1-5-23-14-8-6-13(7-9-14)16(21)19-15(11(2)3)17(22)18-12(4)10-20/h6-9,11-12,15,20H,5,10H2,1-4H3,(H,18,22)(H,19,21)
InChIKeyWBURQSMRAWVOJD-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.34
Rot. Bonds8

About 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide

4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 78856899) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID78856899
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)NC(C)CO)C(C)C)cc1
InChIInChI=1S/C17H26N2O4/c1-5-23-14-8-6-13(7-9-14)16(21)19-15(11(2)3)17(22)18-12(4)10-20/h6-9,11-12,15,20H,5,10H2,1-4H3,(H,18,22)(H,19,21)
InChIKeyWBURQSMRAWVOJD-UHFFFAOYSA-N
XLogP1.34
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 42988135
(2S)-2-[[2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]propanoic acid
CID 119943039
4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]butan-2-yl]benzamide
CID 8892114
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-[3-methyl-1-[2-(methylamino)ethylamino]-1-oxobutan-2-yl]benzamide
CID 119503972
4-ethoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 119433829
N-[(2R)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 26918649
3-[[2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]-2-methylpropanoic acid
CID 120525607
4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 55334963
N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 2598147
N-[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 4799830
4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
CID 81042787

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 78856899) is 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide is CCOc1ccc(C(=O)NC(C(=O)NC(C)CO)C(C)C)cc1.
What is the InChIKey of 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is WBURQSMRAWVOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-5-23-14-8-6-13(7-9-14)16(21)19-15(11(2)3)17(22)18-12(4)10-20/h6-9,11-12,15,20H,5,10H2,1-4H3,(H,18,22)(H,19,21).
What are the key properties of 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 78856899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).