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

C18H25N3O2 — CID 139268453

IUPAC2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(C3(C)CC3)cc2)N1
InChIInChI=1S/C18H25N3O2/c1-11(13-4-6-14(7-5-13)18(3)8-9-18)19-17(23)15-10-16(22)21-12(2)20-15/h4-7,11-12,15,20H,8-10H2,1-3H3,(H,19,23)(H,21,22)/t11-,12?,15?/m1/s1
InChIKeyHLSJFJKSLNXJJL-XIKARTHZSA-N
MW315.42 g/mol
LogP1.74
Rot. Bonds4

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

2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139268453) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139268453
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(C3(C)CC3)cc2)N1
InChIInChI=1S/C18H25N3O2/c1-11(13-4-6-14(7-5-13)18(3)8-9-18)19-17(23)15-10-16(22)21-12(2)20-15/h4-7,11-12,15,20H,8-10H2,1-3H3,(H,19,23)(H,21,22)/t11-,12?,15?/m1/s1
InChIKeyHLSJFJKSLNXJJL-XIKARTHZSA-N
XLogP1.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-oxo-N-[(1R)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268244
N-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139268249
N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
CID 139268346
2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268522
N-[1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268014
2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139267941
N-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139268573
N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139267999
(2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 95335645
2-(methoxymethyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268044
2-cyclopropyl-N-[(1R)-1-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268162
N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435694

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of 2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide (CID 139268453) is 2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide is CC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(C3(C)CC3)cc2)N1.
What is the InChIKey of 2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is HLSJFJKSLNXJJL-XIKARTHZSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-11(13-4-6-14(7-5-13)18(3)8-9-18)19-17(23)15-10-16(22)21-12(2)20-15/h4-7,11-12,15,20H,8-10H2,1-3H3,(H,19,23)(H,21,22)/t11-,12?,15?/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide?
2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).