4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide

C12H17NO2 — CID 59238546

IUPAC4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide
SMILESCc1cc(C(=O)N(C)C(C)C)ccc1O
InChIInChI=1S/C12H17NO2/c1-8(2)13(4)12(15)10-5-6-11(14)9(3)7-10/h5-8,14H,1-4H3
InChIKeyICMLDUXAATVIOI-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.18
Rot. Bonds2

About 4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide

4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide (PubChem CID 59238546) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide
PubChem CID59238546
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide
SMILESCc1cc(C(=O)N(C)C(C)C)ccc1O
InChIInChI=1S/C12H17NO2/c1-8(2)13(4)12(15)10-5-6-11(14)9(3)7-10/h5-8,14H,1-4H3
InChIKeyICMLDUXAATVIOI-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 103956399
4-hydroxy-N,N,3-trimethylbenzamide
CID 59263635
N-(cyanomethyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 103957506
N,3-dimethyl-N-propan-2-ylbenzamide
CID 91322011
N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 107673300
3-hydroxy-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43571474
2-[(3,4-dimethylbenzoyl)-methylamino]propanoic acid
CID 62628336
4-hydroxy-N-(3-hydroxyphenyl)-N,3-dimethylbenzamide
CID 107735629
N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 104556594
3,4-dihydroxy-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 103956182
4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 103957082
N-(4-aminocyclohexyl)-4-hydroxy-N,3-dimethylbenzamide
CID 107672162

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide (CID 59238546) is 4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide is Cc1cc(C(=O)N(C)C(C)C)ccc1O.
What is the InChIKey of 4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide?
The InChIKey is ICMLDUXAATVIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)13(4)12(15)10-5-6-11(14)9(3)7-10/h5-8,14H,1-4H3.
What are the key properties of 4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide?
4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide has a molecular weight of 207.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 59238546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).