N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide

C13H17NO3 — CID 113347115

IUPACN-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(CC)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C13H17NO3/c1-4-14(8-9(2)3)13(17)10-5-11(15)7-12(16)6-10/h5-7,15-16H,2,4,8H2,1,3H3
InChIKeySSUFATRIVHWZAR-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.14
Rot. Bonds4

About N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide

N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide (PubChem CID 113347115) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
PubChem CID113347115
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(CC)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C13H17NO3/c1-4-14(8-9(2)3)13(17)10-5-11(15)7-12(16)6-10/h5-7,15-16H,2,4,8H2,1,3H3
InChIKeySSUFATRIVHWZAR-UHFFFAOYSA-N
XLogP2.14
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dihydroxybenzoyl)-ethylamino]acetic acid
CID 107702457
5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
CID 43424494
4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 102850823
4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 37012021
3-amino-4-bromo-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 61117454
N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide
CID 104939182
3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 24697009
N-ethyl-N-(2-methylprop-2-enyl)-4-phenylmethoxybenzamide
CID 55370161
3-bromo-N-ethyl-5-methoxy-N-(2-methylprop-2-enyl)-4-propoxybenzamide
CID 78800180
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide
CID 107705588
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide
CID 54986420
N-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide
CID 107703652

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide (CID 113347115) is N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide is C=C(C)CN(CC)C(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is SSUFATRIVHWZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-14(8-9(2)3)13(17)10-5-11(15)7-12(16)6-10/h5-7,15-16H,2,4,8H2,1,3H3.
What are the key properties of N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide?
N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 235.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 113347115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).