N-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide

C13H18N2O3 — CID 114189599

IUPACN-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NCC1(O)CNC1
InChIInChI=1S/C13H18N2O3/c1-9-3-4-11(18-2)10(5-9)12(16)15-8-13(17)6-14-7-13/h3-5,14,17H,6-8H2,1-2H3,(H,15,16)
InChIKeyKOPSWPNMLQETFQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.07
Rot. Bonds4

About N-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide

N-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide (PubChem CID 114189599) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide
PubChem CID114189599
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NCC1(O)CNC1
InChIInChI=1S/C13H18N2O3/c1-9-3-4-11(18-2)10(5-9)12(16)15-8-13(17)6-14-7-13/h3-5,14,17H,6-8H2,1-2H3,(H,15,16)
InChIKeyKOPSWPNMLQETFQ-UHFFFAOYSA-N
XLogP0.07
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 112535145
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide
CID 114760620
2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487552
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-methoxy-N,5-dimethylbenzamide
CID 114760445
5-chloro-N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-2-methoxybenzamide
CID 146080294
2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide
CID 64994334
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060
methyl 2-iodo-3-[(2-methoxy-5-methylbenzoyl)amino]propanoate
CID 103493302
2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide
CID 114189535
N-(4-bromobutyl)-2-methoxy-5-methylbenzamide
CID 106846001
2-methoxy-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301929
2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid
CID 66166052

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide (CID 114189599) is N-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)NCC1(O)CNC1.
What is the InChIKey of N-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide?
The InChIKey is KOPSWPNMLQETFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-3-4-11(18-2)10(5-9)12(16)15-8-13(17)6-14-7-13/h3-5,14,17H,6-8H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide?
N-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 114189599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).