N-[(2-methoxyphenyl)methyl]-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide

C29H29F3N2O4 — CID 42724742

IUPACN-[(2-methoxyphenyl)methyl]-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCOc1ccccc1CN(C(=O)c1cccc(C(F)(F)F)c1)C(Cc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C29H29F3N2O4/c1-37-26-13-6-5-10-23(26)20-34(27(35)22-11-7-12-24(19-22)29(30,31)32)25(18-21-8-3-2-4-9-21)28(36)33-14-16-38-17-15-33/h2-13,19,25H,14-18,20H2,1H3
InChIKeyXSNVWNXPSBSZOF-UHFFFAOYSA-N
MW526.56 g/mol
LogP4.83
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide

N-[(2-methoxyphenyl)methyl]-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 42724742) has the molecular formula C29H29F3N2O4 and a molecular weight of 526.56 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID42724742
Molecular FormulaC29H29F3N2O4
Molecular Weight526.56 g/mol
Exact Mass526.21
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCOc1ccccc1CN(C(=O)c1cccc(C(F)(F)F)c1)C(Cc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C29H29F3N2O4/c1-37-26-13-6-5-10-23(26)20-34(27(35)22-11-7-12-24(19-22)29(30,31)32)25(18-21-8-3-2-4-9-21)28(36)33-14-16-38-17-15-33/h2-13,19,25H,14-18,20H2,1H3
InChIKeyXSNVWNXPSBSZOF-UHFFFAOYSA-N
XLogP4.83
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.56
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide (CID 42724742) is N-[(2-methoxyphenyl)methyl]-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide is COc1ccccc1CN(C(=O)c1cccc(C(F)(F)F)c1)C(Cc1ccccc1)C(=O)N1CCOCC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is XSNVWNXPSBSZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N2O4/c1-37-26-13-6-5-10-23(26)20-34(27(35)22-11-7-12-24(19-22)29(30,31)32)25(18-21-8-3-2-4-9-21)28(36)33-14-16-38-17-15-33/h2-13,19,25H,14-18,20H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide?
N-[(2-methoxyphenyl)methyl]-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 526.56 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 42724742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).