N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]adamantane-1-carboxamide

C22H29N3O2 — CID 110666871

IUPACN-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]adamantane-1-carboxamide
SMILESCN1CCCN(c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)C1=O
InChIInChI=1S/C22H29N3O2/c1-24-7-2-8-25(21(24)27)19-5-3-18(4-6-19)23-20(26)22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17H,2,7-14H2,1H3,(H,23,26)
InChIKeyPMYVPQLOJOQXCE-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.10
Rot. Bonds3

About N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]adamantane-1-carboxamide

N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]adamantane-1-carboxamide (PubChem CID 110666871) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]adamantane-1-carboxamide
PubChem CID110666871
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]adamantane-1-carboxamide
SMILESCN1CCCN(c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)C1=O
InChIInChI=1S/C22H29N3O2/c1-24-7-2-8-25(21(24)27)19-5-3-18(4-6-19)23-20(26)22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17H,2,7-14H2,1H3,(H,23,26)
InChIKeyPMYVPQLOJOQXCE-UHFFFAOYSA-N
XLogP4.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea
CID 110666930
N-(4-formamidophenyl)adamantane-1-carboxamide
CID 168653489
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide
CID 7687446
N-(4-acetylphenyl)adamantane-1-carboxamide
CID 2836424
N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide
CID 110666832
N-(4-trimethylsilylphenyl)adamantane-1-carboxamide
CID 171577278
(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 762997
N-(4-formylphenyl)adamantane-1-carboxamide
CID 106912217
4-[[(3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]amino]benzoic acid
CID 6990096
3-methoxy-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666844
N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide
CID 110666880
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)adamantane-1-carboxamide
CID 110639695

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]adamantane-1-carboxamide (CID 110666871) is N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]adamantane-1-carboxamide is CN1CCCN(c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)C1=O.
What is the InChIKey of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]adamantane-1-carboxamide?
The InChIKey is PMYVPQLOJOQXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-24-7-2-8-25(21(24)27)19-5-3-18(4-6-19)23-20(26)22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17H,2,7-14H2,1H3,(H,23,26).
What are the key properties of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]adamantane-1-carboxamide?
N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]adamantane-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 110666871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).