N-butan-2-yl-4-hydroxy-N-methylbenzamide

C12H17NO2 — CID 43273177

IUPACN-butan-2-yl-4-hydroxy-N-methylbenzamide
SMILESCCC(C)N(C)C(=O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO2/c1-4-9(2)13(3)12(15)10-5-7-11(14)8-6-10/h5-9,14H,4H2,1-3H3
InChIKeyQWLMBYBOQNUTCE-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.26
Rot. Bonds3

About N-butan-2-yl-4-hydroxy-N-methylbenzamide

N-butan-2-yl-4-hydroxy-N-methylbenzamide (PubChem CID 43273177) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-butan-2-yl-4-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-hydroxy-N-methylbenzamide
PubChem CID43273177
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-butan-2-yl-4-hydroxy-N-methylbenzamide
SMILESCCC(C)N(C)C(=O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO2/c1-4-9(2)13(3)12(15)10-5-7-11(14)8-6-10/h5-9,14H,4H2,1-3H3
InChIKeyQWLMBYBOQNUTCE-UHFFFAOYSA-N
XLogP2.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide
CID 104555656
4-amino-N-butan-2-yl-N-methylbenzamide
CID 43272431
4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61452521
N-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide
CID 134006113
methyl 4-[butan-2-yl(methyl)carbamoyl]benzoate
CID 75414326
N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide
CID 107689068
4-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334746
N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide
CID 111464498
N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 121451464
3-amino-4-bromo-N-butan-2-yl-N-methylbenzamide
CID 61093398
N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614557
3-bromo-N-butan-2-yl-4-methoxy-N-methylbenzamide
CID 61025993

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-hydroxy-N-methylbenzamide?
The IUPAC name of N-butan-2-yl-4-hydroxy-N-methylbenzamide (CID 43273177) is N-butan-2-yl-4-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-butan-2-yl-4-hydroxy-N-methylbenzamide?
The canonical SMILES for N-butan-2-yl-4-hydroxy-N-methylbenzamide is CCC(C)N(C)C(=O)c1ccc(O)cc1.
What is the InChIKey of N-butan-2-yl-4-hydroxy-N-methylbenzamide?
The InChIKey is QWLMBYBOQNUTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-9(2)13(3)12(15)10-5-7-11(14)8-6-10/h5-9,14H,4H2,1-3H3.
What are the key properties of N-butan-2-yl-4-hydroxy-N-methylbenzamide?
N-butan-2-yl-4-hydroxy-N-methylbenzamide has a molecular weight of 207.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-hydroxy-N-methylbenzamide is sourced from PubChem (CID 43273177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).