2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide

C20H24N2O5 — CID 9114687

IUPAC2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide
SMILESCOC[C@H](C)NC(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C20H24N2O5/c1-14(12-25-2)21-19(23)13-27-16-10-8-15(9-11-16)22-20(24)17-6-4-5-7-18(17)26-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyICQBUDFMBOWORM-AWEZNQCLSA-N
MW372.42 g/mol
LogP2.48
Rot. Bonds9

About 2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide

2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide (PubChem CID 9114687) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide
PubChem CID9114687
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide
SMILESCOC[C@H](C)NC(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C20H24N2O5/c1-14(12-25-2)21-19(23)13-27-16-10-8-15(9-11-16)22-20(24)17-6-4-5-7-18(17)26-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyICQBUDFMBOWORM-AWEZNQCLSA-N
XLogP2.48
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid
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2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
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2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide (CID 9114687) is 2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide is COC[C@H](C)NC(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1.
What is the InChIKey of 2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide?
The InChIKey is ICQBUDFMBOWORM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-14(12-25-2)21-19(23)13-27-16-10-8-15(9-11-16)22-20(24)17-6-4-5-7-18(17)26-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of 2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide?
2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide has a molecular weight of 372.42 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 9114687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).