N-ethyl-2-methylprop-2-enamide;2-hydroxybenzoic acid

C13H17NO4 — CID 174910194

IUPACN-ethyl-2-methylprop-2-enamide;2-hydroxybenzoic acid
SMILESC=C(C)C(=O)NCC.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C6H11NO/c8-6-4-2-1-3-5(6)7(9)10;1-4-7-6(8)5(2)3/h1-4,8H,(H,9,10);2,4H2,1,3H3,(H,7,8)
InChIKeyOZMPNXHKJAABMB-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.79
Rot. Bonds3

About N-ethyl-2-methylprop-2-enamide;2-hydroxybenzoic acid

N-ethyl-2-methylprop-2-enamide;2-hydroxybenzoic acid (PubChem CID 174910194) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-ethyl-2-methylprop-2-enamide;2-hydroxybenzoic acid.

Molecular Properties

Compound NameN-ethyl-2-methylprop-2-enamide;2-hydroxybenzoic acid
PubChem CID174910194
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-ethyl-2-methylprop-2-enamide;2-hydroxybenzoic acid
SMILESC=C(C)C(=O)NCC.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C6H11NO/c8-6-4-2-1-3-5(6)7(9)10;1-4-7-6(8)5(2)3/h1-4,8H,(H,9,10);2,4H2,1,3H3,(H,7,8)
InChIKeyOZMPNXHKJAABMB-UHFFFAOYSA-N
XLogP1.79
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-ethylethanamine;2-hydroxybenzoic acid;hydrate
CID 159203419
2-hydroxybenzoic acid;methyl acetate
CID 157381538
2-(ethylcarbamoyl)benzoic acid;propan-2-one
CID 90945559
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
CID 87183669
CID 87183669
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
2-hydroxybenzoic acid;silver
CID 87326670
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-[2-(2-methylprop-2-enoylamino)ethylcarbamoylamino]benzoic acid
CID 20608041

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylprop-2-enamide;2-hydroxybenzoic acid?
The IUPAC name of N-ethyl-2-methylprop-2-enamide;2-hydroxybenzoic acid (CID 174910194) is N-ethyl-2-methylprop-2-enamide;2-hydroxybenzoic acid.
What is the SMILES notation for N-ethyl-2-methylprop-2-enamide;2-hydroxybenzoic acid?
The canonical SMILES for N-ethyl-2-methylprop-2-enamide;2-hydroxybenzoic acid is C=C(C)C(=O)NCC.O=C(O)c1ccccc1O.
What is the InChIKey of N-ethyl-2-methylprop-2-enamide;2-hydroxybenzoic acid?
The InChIKey is OZMPNXHKJAABMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C6H11NO/c8-6-4-2-1-3-5(6)7(9)10;1-4-7-6(8)5(2)3/h1-4,8H,(H,9,10);2,4H2,1,3H3,(H,7,8).
What are the key properties of N-ethyl-2-methylprop-2-enamide;2-hydroxybenzoic acid?
N-ethyl-2-methylprop-2-enamide;2-hydroxybenzoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylprop-2-enamide;2-hydroxybenzoic acid is sourced from PubChem (CID 174910194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).