2-cyclopropyl-N-[(1R)-1-(4-cyclopropyl-3-fluorophenyl)-2,2-dimethylpropyl]-6-oxo-1,3-diazinane-4-carboxamide

C22H30FN3O2 — CID 139268358

IUPAC2-cyclopropyl-N-[(1R)-1-(4-cyclopropyl-3-fluorophenyl)-2,2-dimethylpropyl]-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC(C)(C)[C@@H](NC(=O)C1CC(=O)NC(C2CC2)N1)c1ccc(C2CC2)c(F)c1
InChIInChI=1S/C22H30FN3O2/c1-22(2,3)19(14-8-9-15(12-4-5-12)16(23)10-14)26-21(28)17-11-18(27)25-20(24-17)13-6-7-13/h8-10,12-13,17,19-20,24H,4-7,11H2,1-3H3,(H,25,27)(H,26,28)/t17?,19-,20?/m0/s1
InChIKeyQOVOZLAAEVTQQL-SYYJFZTOSA-N
MW387.50 g/mol
LogP3.12
Rot. Bonds5

About 2-cyclopropyl-N-[(1R)-1-(4-cyclopropyl-3-fluorophenyl)-2,2-dimethylpropyl]-6-oxo-1,3-diazinane-4-carboxamide

2-cyclopropyl-N-[(1R)-1-(4-cyclopropyl-3-fluorophenyl)-2,2-dimethylpropyl]-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139268358) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1R)-1-(4-cyclopropyl-3-fluorophenyl)-2,2-dimethylpropyl]-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1R)-1-(4-cyclopropyl-3-fluorophenyl)-2,2-dimethylpropyl]-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139268358
Molecular FormulaC22H30FN3O2
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC Name2-cyclopropyl-N-[(1R)-1-(4-cyclopropyl-3-fluorophenyl)-2,2-dimethylpropyl]-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC(C)(C)[C@@H](NC(=O)C1CC(=O)NC(C2CC2)N1)c1ccc(C2CC2)c(F)c1
InChIInChI=1S/C22H30FN3O2/c1-22(2,3)19(14-8-9-15(12-4-5-12)16(23)10-14)26-21(28)17-11-18(27)25-20(24-17)13-6-7-13/h8-10,12-13,17,19-20,24H,4-7,11H2,1-3H3,(H,25,27)(H,26,28)/t17?,19-,20?/m0/s1
InChIKeyQOVOZLAAEVTQQL-SYYJFZTOSA-N
XLogP3.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1R)-1-(4-cyclopropyl-3-fluorophenyl)-2,2-dimethylpropyl]-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(1R)-1-(4-cyclopropyl-3-fluorophenyl)-2,2-dimethylpropyl]-6-oxo-1,3-diazinane-4-carboxamide (CID 139268358) is 2-cyclopropyl-N-[(1R)-1-(4-cyclopropyl-3-fluorophenyl)-2,2-dimethylpropyl]-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1R)-1-(4-cyclopropyl-3-fluorophenyl)-2,2-dimethylpropyl]-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(1R)-1-(4-cyclopropyl-3-fluorophenyl)-2,2-dimethylpropyl]-6-oxo-1,3-diazinane-4-carboxamide is CC(C)(C)[C@@H](NC(=O)C1CC(=O)NC(C2CC2)N1)c1ccc(C2CC2)c(F)c1.
What is the InChIKey of 2-cyclopropyl-N-[(1R)-1-(4-cyclopropyl-3-fluorophenyl)-2,2-dimethylpropyl]-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is QOVOZLAAEVTQQL-SYYJFZTOSA-N. The full InChI is InChI=1S/C22H30FN3O2/c1-22(2,3)19(14-8-9-15(12-4-5-12)16(23)10-14)26-21(28)17-11-18(27)25-20(24-17)13-6-7-13/h8-10,12-13,17,19-20,24H,4-7,11H2,1-3H3,(H,25,27)(H,26,28)/t17?,19-,20?/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(1R)-1-(4-cyclopropyl-3-fluorophenyl)-2,2-dimethylpropyl]-6-oxo-1,3-diazinane-4-carboxamide?
2-cyclopropyl-N-[(1R)-1-(4-cyclopropyl-3-fluorophenyl)-2,2-dimethylpropyl]-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 387.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1R)-1-(4-cyclopropyl-3-fluorophenyl)-2,2-dimethylpropyl]-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).