N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide

C12H17NO3 — CID 114343923

IUPACN-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1cccc(O)c1O)C(C)C
InChIInChI=1S/C12H17NO3/c1-4-13(8(2)3)12(16)9-6-5-7-10(14)11(9)15/h5-8,14-15H,4H2,1-3H3
InChIKeyPVPBADOWFAHDEP-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.97
Rot. Bonds3

About N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide

N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide (PubChem CID 114343923) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide
PubChem CID114343923
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1cccc(O)c1O)C(C)C
InChIInChI=1S/C12H17NO3/c1-4-13(8(2)3)12(16)9-6-5-7-10(14)11(9)15/h5-8,14-15H,4H2,1-3H3
InChIKeyPVPBADOWFAHDEP-UHFFFAOYSA-N
XLogP1.97
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 43266066
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide
CID 107689061
3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid
CID 62821574
N-ethyl-2,3-dihydroxy-N-phenylbenzamide
CID 114343845
N-(2-cyanopropyl)-N-ethyl-2,3-dihydroxybenzamide
CID 114343549
2-[(2,3-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 114343332
3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid
CID 62821545
N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide
CID 79776951
2,3-dihydroxy-N-methylbenzohydrazide
CID 142945868
2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 60832023
N-ethyl-N-(4-fluorophenyl)-2,3-dihydroxybenzamide
CID 114344262

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide?
The IUPAC name of N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide (CID 114343923) is N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide is CCN(C(=O)c1cccc(O)c1O)C(C)C.
What is the InChIKey of N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide?
The InChIKey is PVPBADOWFAHDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-13(8(2)3)12(16)9-6-5-7-10(14)11(9)15/h5-8,14-15H,4H2,1-3H3.
What are the key properties of N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide?
N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide has a molecular weight of 223.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 114343923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).