N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide

C14H15N3O5 — CID 134138570

IUPACN-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
SMILESCOc1ccc(NC(=O)C2C(=O)N(C)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C14H15N3O5/c1-16-12(19)10(13(20)17(2)14(16)21)11(18)15-8-4-6-9(22-3)7-5-8/h4-7,10H,1-3H3,(H,15,18)
InChIKeyFANDCBRVSSBIOH-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.30
Rot. Bonds3

About N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide

N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide (PubChem CID 134138570) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
PubChem CID134138570
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC NameN-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
SMILESCOc1ccc(NC(=O)C2C(=O)N(C)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C14H15N3O5/c1-16-12(19)10(13(20)17(2)14(16)21)11(18)15-8-4-6-9(22-3)7-5-8/h4-7,10H,1-3H3,(H,15,18)
InChIKeyFANDCBRVSSBIOH-UHFFFAOYSA-N
XLogP0.30
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 816577
N-[4-[(3,5-dichloro-2H-pyrimidin-4-yl)oxy]phenyl]-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 88648941
N-[4-[(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 21298108
N-(4-methoxyphenyl)-2-[(1,3,9-trimethyl-2,6-dioxo-5H-purin-9-ium-8-yl)sulfanyl]acetamide
CID 78468978
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-(4-methoxyphenyl)-2,6-dimethyl-1,3-dioxo-4H-thieno[2,3-e]thiazine-4-carboxamide
CID 70331122
(2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide
CID 13135700
1-(4-chlorophenyl)-3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]urea
CID 134147310
4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 2288100
N-(4-methoxyphenyl)-9,11-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-10-carboxamide
CID 71558698
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide (CID 134138570) is N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide is COc1ccc(NC(=O)C2C(=O)N(C)C(=O)N(C)C2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
The InChIKey is FANDCBRVSSBIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-16-12(19)10(13(20)17(2)14(16)21)11(18)15-8-4-6-9(22-3)7-5-8/h4-7,10H,1-3H3,(H,15,18).
What are the key properties of N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide has a molecular weight of 305.29 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 134138570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).