N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide

C14H20N2O4 — CID 107723639

IUPACN-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide
SMILESCCN(CC)C(=O)C(C)NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H20N2O4/c1-4-16(5-2)14(20)9(3)15-13(19)11-8-10(17)6-7-12(11)18/h6-9,17-18H,4-5H2,1-3H3,(H,15,19)
InChIKeyCSPZCYDMRBVSMD-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.08
Rot. Bonds5

About N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide

N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide (PubChem CID 107723639) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide
PubChem CID107723639
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide
SMILESCCN(CC)C(=O)C(C)NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H20N2O4/c1-4-16(5-2)14(20)9(3)15-13(19)11-8-10(17)6-7-12(11)18/h6-9,17-18H,4-5H2,1-3H3,(H,15,19)
InChIKeyCSPZCYDMRBVSMD-UHFFFAOYSA-N
XLogP1.08
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide
CID 115883686
2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide
CID 107722174
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide
CID 107722051
2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide
CID 115412619
tert-butyl (2S)-2-[(2,5-dihydroxybenzoyl)amino]propanoate
CID 107725397
N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide
CID 107723793
methyl 3-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 113347091
2-[(2,5-dihydroxybenzoyl)amino]-4-methylpentanoic acid
CID 23191955
3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926055
2,5-dihydroxy-N-(1-phenylpropyl)benzamide
CID 107722884
N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide
CID 54938221
2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 107722175

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide?
The IUPAC name of N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide (CID 107723639) is N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide.
What is the SMILES notation for N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide?
The canonical SMILES for N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide is CCN(CC)C(=O)C(C)NC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide?
The InChIKey is CSPZCYDMRBVSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-16(5-2)14(20)9(3)15-13(19)11-8-10(17)6-7-12(11)18/h6-9,17-18H,4-5H2,1-3H3,(H,15,19).
What are the key properties of N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide?
N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide has a molecular weight of 280.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide is sourced from PubChem (CID 107723639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).