N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide

C22H25N3O2 — CID 139268346

IUPACN-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
SMILESC[C@@H](NC(=O)C1CC(=O)NC(c2ccccc2)N1)c1ccc(C2CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-14(15-7-9-16(10-8-15)17-11-12-17)23-22(27)19-13-20(26)25-21(24-19)18-5-3-2-4-6-18/h2-10,14,17,19,21,24H,11-13H2,1H3,(H,23,27)(H,25,26)/t14-,19?,21?/m1/s1
InChIKeyZSFRVKVYKCZHNJ-TVXIDFIASA-N
MW363.46 g/mol
LogP2.92
Rot. Bonds5

About N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide

N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide (PubChem CID 139268346) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
PubChem CID139268346
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
SMILESC[C@@H](NC(=O)C1CC(=O)NC(c2ccccc2)N1)c1ccc(C2CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-14(15-7-9-16(10-8-15)17-11-12-17)23-22(27)19-13-20(26)25-21(24-19)18-5-3-2-4-6-18/h2-10,14,17,19,21,24H,11-13H2,1H3,(H,23,27)(H,25,26)/t14-,19?,21?/m1/s1
InChIKeyZSFRVKVYKCZHNJ-TVXIDFIASA-N
XLogP2.92
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268014
6-oxo-2-phenyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268345
N-[(1R)-1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
CID 139268473
2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268453
N-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268041
N-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139268249
2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268522
2-methyl-6-oxo-N-[(1R)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268244
2-oxo-N-(1-phenylethyl)piperidine-4-carboxamide
CID 110682047
2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139267941
tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate
CID 71758365
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide (CID 139268346) is N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide is C[C@@H](NC(=O)C1CC(=O)NC(c2ccccc2)N1)c1ccc(C2CC2)cc1.
What is the InChIKey of N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide?
The InChIKey is ZSFRVKVYKCZHNJ-TVXIDFIASA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14(15-7-9-16(10-8-15)17-11-12-17)23-22(27)19-13-20(26)25-21(24-19)18-5-3-2-4-6-18/h2-10,14,17,19,21,24H,11-13H2,1H3,(H,23,27)(H,25,26)/t14-,19?,21?/m1/s1.
What are the key properties of N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide?
N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).