N-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide

C13H19NO3 — CID 107703652

IUPACN-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide
SMILESCCC(C)N(CC)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C13H19NO3/c1-4-9(3)14(5-2)13(17)10-6-11(15)8-12(16)7-10/h6-9,15-16H,4-5H2,1-3H3
InChIKeyGLMNJNVFPMDMAI-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.36
Rot. Bonds4

About N-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide

N-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide (PubChem CID 107703652) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide
PubChem CID107703652
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide
SMILESCCC(C)N(CC)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C13H19NO3/c1-4-9(3)14(5-2)13(17)10-6-11(15)8-12(16)7-10/h6-9,15-16H,4-5H2,1-3H3
InChIKeyGLMNJNVFPMDMAI-UHFFFAOYSA-N
XLogP2.36
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107980072
3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide
CID 81090424
N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide
CID 43274566
2-[butan-2-yl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 60828869
N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide
CID 43274567
N-(3-chlorobutyl)-3,5-dihydroxy-N-methylbenzamide
CID 107706167
2-[(3,5-dihydroxybenzoyl)-ethylamino]acetic acid
CID 107702457
3,5-dihydroxy-N,N-dimethylbenzamide
CID 103893165
N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 55008658
3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103908083
N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 113347115
N-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 62243923

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide?
The IUPAC name of N-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide (CID 107703652) is N-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide.
What is the SMILES notation for N-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide?
The canonical SMILES for N-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide is CCC(C)N(CC)C(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide?
The InChIKey is GLMNJNVFPMDMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-9(3)14(5-2)13(17)10-6-11(15)8-12(16)7-10/h6-9,15-16H,4-5H2,1-3H3.
What are the key properties of N-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide?
N-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide has a molecular weight of 237.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide is sourced from PubChem (CID 107703652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).