4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide

C13H18N2O4 — CID 104981373

IUPAC4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@@H](CO)NC(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C13H18N2O4/c1-2-10(7-16)15-13(18)9-3-5-11(6-4-9)19-8-12(14)17/h3-6,10,16H,2,7-8H2,1H3,(H2,14,17)(H,15,18)/t10-/m0/s1
InChIKeyWQOIJLHITPXVHH-JTQLQIEISA-N
MW266.30 g/mol
LogP0.05
Rot. Bonds7

About 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide

4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide (PubChem CID 104981373) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide
PubChem CID104981373
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@@H](CO)NC(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C13H18N2O4/c1-2-10(7-16)15-13(18)9-3-5-11(6-4-9)19-8-12(14)17/h3-6,10,16H,2,7-8H2,1H3,(H2,14,17)(H,15,18)/t10-/m0/s1
InChIKeyWQOIJLHITPXVHH-JTQLQIEISA-N
XLogP0.05
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119586018
N-(1-hydroxybutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 110466125
4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide
CID 112771460
N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103920258
4-(2-amino-2-oxoethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750889
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246765
N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259
N-[(2R)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032260
2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid
CID 62697830
2-[[[4-(2-amino-2-oxoethoxy)benzoyl]amino]methyl]butanoic acid
CID 65218079
N-(1-bromobutan-2-yl)-4-ethoxybenzamide
CID 114307651

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide (CID 104981373) is 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide is CC[C@@H](CO)NC(=O)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide?
The InChIKey is WQOIJLHITPXVHH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-10(7-16)15-13(18)9-3-5-11(6-4-9)19-8-12(14)17/h3-6,10,16H,2,7-8H2,1H3,(H2,14,17)(H,15,18)/t10-/m0/s1.
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide?
4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide has a molecular weight of 266.30 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide is sourced from PubChem (CID 104981373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).