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

C24H26F3N3O3 — CID 139268404

IUPACN-[(R)-cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]-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)cc3)C3CC3)N2)cc1
InChIInChI=1S/C24H26F3N3O3/c1-33-18-10-2-14(3-11-18)12-20-28-19(13-21(31)29-20)23(32)30-22(15-4-5-15)16-6-8-17(9-7-16)24(25,26)27/h2-3,6-11,15,19-20,22,28H,4-5,12-13H2,1H3,(H,29,31)(H,30,32)/t19?,20?,22-/m1/s1
InChIKeyUHXJMFQDGNKQFP-QETWGEEDSA-N
MW461.48 g/mol
LogP3.33
Rot. Bonds7

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

N-[(R)-cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139268404) has the molecular formula C24H26F3N3O3 and a molecular weight of 461.48 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139268404
Molecular FormulaC24H26F3N3O3
Molecular Weight461.48 g/mol
Exact Mass461.19
IUPAC NameN-[(R)-cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]-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)cc3)C3CC3)N2)cc1
InChIInChI=1S/C24H26F3N3O3/c1-33-18-10-2-14(3-11-18)12-20-28-19(13-21(31)29-20)23(32)30-22(15-4-5-15)16-6-8-17(9-7-16)24(25,26)27/h2-3,6-11,15,19-20,22,28H,4-5,12-13H2,1H3,(H,29,31)(H,30,32)/t19?,20?,22-/m1/s1
InChIKeyUHXJMFQDGNKQFP-QETWGEEDSA-N
XLogP3.33
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[(R)-cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide (CID 139268404) is N-[(R)-cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[(R)-cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[(R)-cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]-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)cc3)C3CC3)N2)cc1.
What is the InChIKey of N-[(R)-cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is UHXJMFQDGNKQFP-QETWGEEDSA-N. The full InChI is InChI=1S/C24H26F3N3O3/c1-33-18-10-2-14(3-11-18)12-20-28-19(13-21(31)29-20)23(32)30-22(15-4-5-15)16-6-8-17(9-7-16)24(25,26)27/h2-3,6-11,15,19-20,22,28H,4-5,12-13H2,1H3,(H,29,31)(H,30,32)/t19?,20?,22-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide?
N-[(R)-cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 461.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).