3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide

C34H33N3O4 — CID 86298919

IUPAC3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(OCc2ccccc2)c(NC(=O)C2(N3CCOCC3)CC2)c1
InChIInChI=1S/C34H33N3O4/c38-32(35-29-14-11-27(12-15-29)26-9-5-2-6-10-26)28-13-16-31(41-24-25-7-3-1-4-8-25)30(23-28)36-33(39)34(17-18-34)37-19-21-40-22-20-37/h1-16,23H,17-22,24H2,(H,35,38)(H,36,39)
InChIKeyOXEOJYXDFAFJAD-UHFFFAOYSA-N
MW547.66 g/mol
LogP5.99
Rot. Bonds9

About 3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide

3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide (PubChem CID 86298919) has the molecular formula C34H33N3O4 and a molecular weight of 547.66 g/mol. Its IUPAC name is 3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide
PubChem CID86298919
Molecular FormulaC34H33N3O4
Molecular Weight547.66 g/mol
Exact Mass547.25
IUPAC Name3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(OCc2ccccc2)c(NC(=O)C2(N3CCOCC3)CC2)c1
InChIInChI=1S/C34H33N3O4/c38-32(35-29-14-11-27(12-15-29)26-9-5-2-6-10-26)28-13-16-31(41-24-25-7-3-1-4-8-25)30(23-28)36-33(39)34(17-18-34)37-19-21-40-22-20-37/h1-16,23H,17-22,24H2,(H,35,38)(H,36,39)
InChIKeyOXEOJYXDFAFJAD-UHFFFAOYSA-N
XLogP5.99
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.66
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide
CID 144714180
N-[4-(2-aminopyrimidin-5-yl)phenyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide
CID 122499939
N-(4-bromophenyl)-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide
CID 122480303
N-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide
CID 148500321
4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86298920
N-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide
CID 122480296
3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzoic acid
CID 90460410
4-methoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylmethoxybenzamide
CID 141436173
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide
CID 86292836
3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide
CID 55658528
4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide
CID 90458981
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097

Frequently Asked Questions

What is the IUPAC name of 3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide?
The IUPAC name of 3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide (CID 86298919) is 3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide.
What is the SMILES notation for 3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide?
The canonical SMILES for 3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(OCc2ccccc2)c(NC(=O)C2(N3CCOCC3)CC2)c1.
What is the InChIKey of 3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide?
The InChIKey is OXEOJYXDFAFJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O4/c38-32(35-29-14-11-27(12-15-29)26-9-5-2-6-10-26)28-13-16-31(41-24-25-7-3-1-4-8-25)30(23-28)36-33(39)34(17-18-34)37-19-21-40-22-20-37/h1-16,23H,17-22,24H2,(H,35,38)(H,36,39).
What are the key properties of 3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide?
3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide has a molecular weight of 547.66 g/mol, XLogP of 5.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide is sourced from PubChem (CID 86298919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).