N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide

C24H27F4N3O3 — CID 139268395

IUPACN-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide
SMILESCOc1ccc(CC2NC(=O)CC(C(=O)N[C@@H](c3ccc(C(F)(F)F)c(F)c3)C(C)C)N2)cc1
InChIInChI=1S/C24H27F4N3O3/c1-13(2)22(15-6-9-17(18(25)11-15)24(26,27)28)31-23(33)19-12-21(32)30-20(29-19)10-14-4-7-16(34-3)8-5-14/h4-9,11,13,19-20,22,29H,10,12H2,1-3H3,(H,30,32)(H,31,33)/t19?,20?,22-/m1/s1
InChIKeyDSZAYZZFTFJGMK-QETWGEEDSA-N
MW481.49 g/mol
LogP3.71
Rot. Bonds7

About N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide

N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139268395) has the molecular formula C24H27F4N3O3 and a molecular weight of 481.49 g/mol. Its IUPAC name is N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139268395
Molecular FormulaC24H27F4N3O3
Molecular Weight481.49 g/mol
Exact Mass481.20
IUPAC NameN-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide
SMILESCOc1ccc(CC2NC(=O)CC(C(=O)N[C@@H](c3ccc(C(F)(F)F)c(F)c3)C(C)C)N2)cc1
InChIInChI=1S/C24H27F4N3O3/c1-13(2)22(15-6-9-17(18(25)11-15)24(26,27)28)31-23(33)19-12-21(32)30-20(29-19)10-14-4-7-16(34-3)8-5-14/h4-9,11,13,19-20,22,29H,10,12H2,1-3H3,(H,30,32)(H,31,33)/t19?,20?,22-/m1/s1
InChIKeyDSZAYZZFTFJGMK-QETWGEEDSA-N
XLogP3.71
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.49
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide (CID 139268395) is N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide is COc1ccc(CC2NC(=O)CC(C(=O)N[C@@H](c3ccc(C(F)(F)F)c(F)c3)C(C)C)N2)cc1.
What is the InChIKey of N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is DSZAYZZFTFJGMK-QETWGEEDSA-N. The full InChI is InChI=1S/C24H27F4N3O3/c1-13(2)22(15-6-9-17(18(25)11-15)24(26,27)28)31-23(33)19-12-21(32)30-20(29-19)10-14-4-7-16(34-3)8-5-14/h4-9,11,13,19-20,22,29H,10,12H2,1-3H3,(H,30,32)(H,31,33)/t19?,20?,22-/m1/s1.
What are the key properties of N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide?
N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 481.49 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).