4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide

C12H17NO3 — CID 61452521

IUPAC4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
SMILESCOCC(C)N(C)C(=O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO3/c1-9(8-16-3)13(2)12(15)10-4-6-11(14)7-5-10/h4-7,9,14H,8H2,1-3H3
InChIKeyXILPQFHYHXTFTM-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.50
Rot. Bonds4

About 4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide

4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide (PubChem CID 61452521) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
PubChem CID61452521
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
SMILESCOCC(C)N(C)C(=O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO3/c1-9(8-16-3)13(2)12(15)10-4-6-11(14)7-5-10/h4-7,9,14H,8H2,1-3H3
InChIKeyXILPQFHYHXTFTM-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-carbamothioyl-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 54946736
N-butan-2-yl-4-hydroxy-N-methylbenzamide
CID 43273177
N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 55008658
N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide
CID 104555656
2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 106501519
5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 63866727
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
N-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide
CID 134006113
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109693
2,6-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 60794728
N-(2-chloro-3-methoxypropyl)-4-hydroxy-N-methylbenzamide
CID 63398005
6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 62236454

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide (CID 61452521) is 4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide is COCC(C)N(C)C(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The InChIKey is XILPQFHYHXTFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(8-16-3)13(2)12(15)10-4-6-11(14)7-5-10/h4-7,9,14H,8H2,1-3H3.
What are the key properties of 4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide has a molecular weight of 223.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 61452521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).