3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C23H28N2O4 — CID 51958121

IUPAC3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCOc1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C23H28N2O4/c1-15(2)24-22(26)14-29-20-12-11-17(13-21(20)28-3)23(27)25-19-10-6-8-16-7-4-5-9-18(16)19/h4-5,7,9,11-13,15,19H,6,8,10,14H2,1-3H3,(H,24,26)(H,25,27)/t19-/m0/s1
InChIKeyGNHVEIUIZGIAFF-IBGZPJMESA-N
MW396.49 g/mol
LogP3.41
Rot. Bonds7

About 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 51958121) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID51958121
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCOc1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C23H28N2O4/c1-15(2)24-22(26)14-29-20-12-11-17(13-21(20)28-3)23(27)25-19-10-6-8-16-7-4-5-9-18(16)19/h4-5,7,9,11-13,15,19H,6,8,10,14H2,1-3H3,(H,24,26)(H,25,27)/t19-/m0/s1
InChIKeyGNHVEIUIZGIAFF-IBGZPJMESA-N
XLogP3.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098259
4-[2-(4-ethoxyanilino)-2-oxoethoxy]-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4879241
2-(2-methoxy-4-methylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2636502
3-fluoro-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 32745617
N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride
CID 119478225
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
3,4,5-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide
CID 2557479
3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2671208
4-methoxy-3-(propylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 43873999
3,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 837268
3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42904406
N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide
CID 55786328

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 51958121) is 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is COc1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1OCC(=O)NC(C)C.
What is the InChIKey of 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is GNHVEIUIZGIAFF-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N2O4/c1-15(2)24-22(26)14-29-20-12-11-17(13-21(20)28-3)23(27)25-19-10-6-8-16-7-4-5-9-18(16)19/h4-5,7,9,11-13,15,19H,6,8,10,14H2,1-3H3,(H,24,26)(H,25,27)/t19-/m0/s1.
What are the key properties of 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 51958121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).