N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-3-(2-methoxyphenyl)propanamide

C15H20N2O4 — CID 112533582

IUPACN-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NC1(CC(N)=O)COC1
InChIInChI=1S/C15H20N2O4/c1-20-12-5-3-2-4-11(12)6-7-14(19)17-15(8-13(16)18)9-21-10-15/h2-5H,6-10H2,1H3,(H2,16,18)(H,17,19)
InChIKeySFZQCQQOHNVBIG-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.39
Rot. Bonds7

About N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-3-(2-methoxyphenyl)propanamide

N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-3-(2-methoxyphenyl)propanamide (PubChem CID 112533582) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-3-(2-methoxyphenyl)propanamide
PubChem CID112533582
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NC1(CC(N)=O)COC1
InChIInChI=1S/C15H20N2O4/c1-20-12-5-3-2-4-11(12)6-7-14(19)17-15(8-13(16)18)9-21-10-15/h2-5H,6-10H2,1H3,(H2,16,18)(H,17,19)
InChIKeySFZQCQQOHNVBIG-UHFFFAOYSA-N
XLogP0.39
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(2-ethoxyphenyl)propanoylamino]oxan-4-yl]acetic acid
CID 75429127
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208
3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877597
N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-4-methoxy-3-methylbenzamide
CID 112533564
N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-2-methoxy-5-methylbenzamide
CID 112533566
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 17360384
4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid
CID 43240218
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide
CID 91765241
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-3-(2-methoxyphenyl)propanamide (CID 112533582) is N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)NC1(CC(N)=O)COC1.
What is the InChIKey of N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is SFZQCQQOHNVBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-12-5-3-2-4-11(12)6-7-14(19)17-15(8-13(16)18)9-21-10-15/h2-5H,6-10H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-3-(2-methoxyphenyl)propanamide?
N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 292.33 g/mol, XLogP of 0.39, 7 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]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 112533582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).