2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide

C13H18N2O4 — CID 107689580

IUPAC2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
SMILESCC(C)NC(=O)C(C)NC(=O)c1c(O)cccc1O
InChIInChI=1S/C13H18N2O4/c1-7(2)14-12(18)8(3)15-13(19)11-9(16)5-4-6-10(11)17/h4-8,16-17H,1-3H3,(H,14,18)(H,15,19)
InChIKeyMWWXENHNDXOKKJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.74
Rot. Bonds4

About 2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide

2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide (PubChem CID 107689580) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
PubChem CID107689580
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
SMILESCC(C)NC(=O)C(C)NC(=O)c1c(O)cccc1O
InChIInChI=1S/C13H18N2O4/c1-7(2)14-12(18)8(3)15-13(19)11-9(16)5-4-6-10(11)17/h4-8,16-17H,1-3H3,(H,14,18)(H,15,19)
InChIKeyMWWXENHNDXOKKJ-UHFFFAOYSA-N
XLogP0.74
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dihydroxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103890339
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
tert-butyl (2S)-2-[(2,6-dihydroxybenzoyl)amino]propanoate
CID 103890672
2,6-dihydroxy-N-pentan-2-ylbenzamide
CID 103890167
2,6-dihydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 103748891
N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide
CID 107691210
2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859798
2,6-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 103890504
N-heptan-2-yl-2,6-dihydroxybenzamide
CID 103748986
N'-acetyl-2,6-dihydroxybenzohydrazide
CID 139076787
2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107690240
2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide
CID 65499751

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide?
The IUPAC name of 2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide (CID 107689580) is 2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide?
The canonical SMILES for 2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide is CC(C)NC(=O)C(C)NC(=O)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide?
The InChIKey is MWWXENHNDXOKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-7(2)14-12(18)8(3)15-13(19)11-9(16)5-4-6-10(11)17/h4-8,16-17H,1-3H3,(H,14,18)(H,15,19).
What are the key properties of 2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide?
2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide has a molecular weight of 266.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide is sourced from PubChem (CID 107689580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).