3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide

C13H17NO2 — CID 103873632

IUPAC3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
SMILESCc1c(O)cccc1C(=O)NCC1(C)CC1
InChIInChI=1S/C13H17NO2/c1-9-10(4-3-5-11(9)15)12(16)14-8-13(2)6-7-13/h3-5,15H,6-8H2,1-2H3,(H,14,16)
InChIKeyNLBGSFPWOLPCSZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.23
Rot. Bonds3

About 3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide

3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide (PubChem CID 103873632) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
PubChem CID103873632
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
SMILESCc1c(O)cccc1C(=O)NCC1(C)CC1
InChIInChI=1S/C13H17NO2/c1-9-10(4-3-5-11(9)15)12(16)14-8-13(2)6-7-13/h3-5,15H,6-8H2,1-2H3,(H,14,16)
InChIKeyNLBGSFPWOLPCSZ-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103873764
2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103765513
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
CID 82830831
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide
CID 103969522
4-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 82809123
2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742541
5-fluoro-2-hydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103739179
2-hydroxy-3-methoxy-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103738116
3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 79035684
2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 103738888
2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63821027
3-[(3-hydroxy-2-methylbenzoyl)amino]propanoic acid
CID 82827188

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide?
The IUPAC name of 3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide (CID 103873632) is 3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide is Cc1c(O)cccc1C(=O)NCC1(C)CC1.
What is the InChIKey of 3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide?
The InChIKey is NLBGSFPWOLPCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-10(4-3-5-11(9)15)12(16)14-8-13(2)6-7-13/h3-5,15H,6-8H2,1-2H3,(H,14,16).
What are the key properties of 3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide?
3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide has a molecular weight of 219.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 103873632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).