2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]-N-(2-propan-2-yloxyphenyl)benzamide

C26H28N2O4 — CID 1300335

IUPAC2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccccc1OCC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C26H28N2O4/c1-18(2)32-24-16-10-8-14-22(24)28-26(30)21-13-7-9-15-23(21)31-17-25(29)27-19(3)20-11-5-4-6-12-20/h4-16,18-19H,17H2,1-3H3,(H,27,29)(H,28,30)/t19-/m0/s1
InChIKeyBOLLPHXZSSIMNS-IBGZPJMESA-N
MW432.52 g/mol
LogP4.98
Rot. Bonds9

About 2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]-N-(2-propan-2-yloxyphenyl)benzamide

2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]-N-(2-propan-2-yloxyphenyl)benzamide (PubChem CID 1300335) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]-N-(2-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]-N-(2-propan-2-yloxyphenyl)benzamide
PubChem CID1300335
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccccc1OCC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C26H28N2O4/c1-18(2)32-24-16-10-8-14-22(24)28-26(30)21-13-7-9-15-23(21)31-17-25(29)27-19(3)20-11-5-4-6-12-20/h4-16,18-19H,17H2,1-3H3,(H,27,29)(H,28,30)/t19-/m0/s1
InChIKeyBOLLPHXZSSIMNS-IBGZPJMESA-N
XLogP4.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzamide
CID 8866061
N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
CID 92666015
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 8766894
2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide
CID 40616574
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide
CID 7981027
2-[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethoxy]-N-phenylbenzamide
CID 9018570
2-naphthalen-1-yloxy-N-(1-phenylethyl)acetamide
CID 4513591
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 112761405
N-propan-2-yl-2-[(2-propan-2-yloxybenzoyl)amino]benzamide
CID 17045597

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]-N-(2-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]-N-(2-propan-2-yloxyphenyl)benzamide (CID 1300335) is 2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]-N-(2-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]-N-(2-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]-N-(2-propan-2-yloxyphenyl)benzamide is CC(C)Oc1ccccc1NC(=O)c1ccccc1OCC(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]-N-(2-propan-2-yloxyphenyl)benzamide?
The InChIKey is BOLLPHXZSSIMNS-IBGZPJMESA-N. The full InChI is InChI=1S/C26H28N2O4/c1-18(2)32-24-16-10-8-14-22(24)28-26(30)21-13-7-9-15-23(21)31-17-25(29)27-19(3)20-11-5-4-6-12-20/h4-16,18-19H,17H2,1-3H3,(H,27,29)(H,28,30)/t19-/m0/s1.
What are the key properties of 2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]-N-(2-propan-2-yloxyphenyl)benzamide?
2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]-N-(2-propan-2-yloxyphenyl)benzamide has a molecular weight of 432.52 g/mol, XLogP of 4.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]-N-(2-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 1300335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).