N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-2-methoxy-5-methylbenzamide

C14H18N2O4 — CID 112533566

IUPACN-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NC1(CC(N)=O)COC1
InChIInChI=1S/C14H18N2O4/c1-9-3-4-11(19-2)10(5-9)13(18)16-14(6-12(15)17)7-20-8-14/h3-5H,6-8H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyWUEAAYFJRRZSFB-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.38
Rot. Bonds5

About N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-2-methoxy-5-methylbenzamide

N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-2-methoxy-5-methylbenzamide (PubChem CID 112533566) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-2-methoxy-5-methylbenzamide
PubChem CID112533566
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NC1(CC(N)=O)COC1
InChIInChI=1S/C14H18N2O4/c1-9-3-4-11(19-2)10(5-9)13(18)16-14(6-12(15)17)7-20-8-14/h3-5H,6-8H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyWUEAAYFJRRZSFB-UHFFFAOYSA-N
XLogP0.38
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-4-methoxy-3-methylbenzamide
CID 112533564
N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-3-(2-methoxyphenyl)propanamide
CID 112533582
N-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide
CID 114189599
N-[4-(bromomethyl)oxan-4-yl]-2,5-dimethoxybenzamide
CID 106304782
methyl 4-hydroxy-4-[[(2-methoxy-5-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 112535145
N-[(3-aminocyclopentyl)methyl]-2-methoxy-5-methylbenzamide
CID 106121411
2-[4-[(2-hydroxy-3-methoxy-5-methylbenzoyl)amino]oxan-4-yl]acetic acid
CID 136552793
2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid
CID 66166052
methyl 2-iodo-3-[(2-methoxy-5-methylbenzoyl)amino]propanoate
CID 103493302
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide
CID 62504212
ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone
CID 142095957
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-2-methoxy-5-methylbenzamide (CID 112533566) is N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)NC1(CC(N)=O)COC1.
What is the InChIKey of N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-2-methoxy-5-methylbenzamide?
The InChIKey is WUEAAYFJRRZSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-3-4-11(19-2)10(5-9)13(18)16-14(6-12(15)17)7-20-8-14/h3-5H,6-8H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-2-methoxy-5-methylbenzamide?
N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-2-methoxy-5-methylbenzamide has a molecular weight of 278.31 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 112533566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).