2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide

C18H26N2O5 — CID 97308282

IUPAC2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC
InChIInChI=1S/C18H26N2O5/c1-4-24-14-9-7-6-8-12(14)18(22)19-11-16(21)20-13-10-15(25-5-2)17(13)23-3/h6-9,13,15,17H,4-5,10-11H2,1-3H3,(H,19,22)(H,20,21)/t13-,15+,17-/m1/s1
InChIKeyKQURRNXZDCWYPV-UKPHBRMFSA-N
MW350.42 g/mol
LogP1.12
Rot. Bonds9

About 2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide

2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide (PubChem CID 97308282) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide
PubChem CID97308282
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC
InChIInChI=1S/C18H26N2O5/c1-4-24-14-9-7-6-8-12(14)18(22)19-11-16(21)20-13-10-15(25-5-2)17(13)23-3/h6-9,13,15,17H,4-5,10-11H2,1-3H3,(H,19,22)(H,20,21)/t13-,15+,17-/m1/s1
InChIKeyKQURRNXZDCWYPV-UKPHBRMFSA-N
XLogP1.12
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide (CID 97308282) is 2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC.
What is the InChIKey of 2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide?
The InChIKey is KQURRNXZDCWYPV-UKPHBRMFSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-4-24-14-9-7-6-8-12(14)18(22)19-11-16(21)20-13-10-15(25-5-2)17(13)23-3/h6-9,13,15,17H,4-5,10-11H2,1-3H3,(H,19,22)(H,20,21)/t13-,15+,17-/m1/s1.
What are the key properties of 2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide?
2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 97308282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).