N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-4-methoxy-3-methylbenzamide

C14H18N2O4 — CID 112533564

IUPACN-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-4-methoxy-3-methylbenzamide
SMILESCOc1ccc(C(=O)NC2(CC(N)=O)COC2)cc1C
InChIInChI=1S/C14H18N2O4/c1-9-5-10(3-4-11(9)19-2)13(18)16-14(6-12(15)17)7-20-8-14/h3-5H,6-8H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyLOEAABPWXFXVRZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.38
Rot. Bonds5

About N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-4-methoxy-3-methylbenzamide

N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-4-methoxy-3-methylbenzamide (PubChem CID 112533564) 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]-4-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-4-methoxy-3-methylbenzamide
PubChem CID112533564
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-4-methoxy-3-methylbenzamide
SMILESCOc1ccc(C(=O)NC2(CC(N)=O)COC2)cc1C
InChIInChI=1S/C14H18N2O4/c1-9-5-10(3-4-11(9)19-2)13(18)16-14(6-12(15)17)7-20-8-14/h3-5H,6-8H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyLOEAABPWXFXVRZ-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]-2-methoxy-5-methylbenzamide
CID 112533566
N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-3-(2-methoxyphenyl)propanamide
CID 112533582
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide
CID 62516961
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002
4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 18892567
N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
CID 115764896
ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide
CID 54213440
4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide
CID 94262532

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-4-methoxy-3-methylbenzamide?
The IUPAC name of N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-4-methoxy-3-methylbenzamide (CID 112533564) is N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-4-methoxy-3-methylbenzamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-4-methoxy-3-methylbenzamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-4-methoxy-3-methylbenzamide is COc1ccc(C(=O)NC2(CC(N)=O)COC2)cc1C.
What is the InChIKey of N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-4-methoxy-3-methylbenzamide?
The InChIKey is LOEAABPWXFXVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-5-10(3-4-11(9)19-2)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]-4-methoxy-3-methylbenzamide?
N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-4-methoxy-3-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]-4-methoxy-3-methylbenzamide is sourced from PubChem (CID 112533564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).