6-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hexanamide

C18H23N3O3 — CID 11645614

IUPAC6-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hexanamide
SMILESCc1cn(Cc2ccc(CCCCCC(N)=O)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H23N3O3/c1-13-11-21(18(24)20-17(13)23)12-15-9-7-14(8-10-15)5-3-2-4-6-16(19)22/h7-11H,2-6,12H2,1H3,(H2,19,22)(H,20,23,24)
InChIKeyMOZTUKMQMWQZTL-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.48
Rot. Bonds8

About 6-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hexanamide

6-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hexanamide (PubChem CID 11645614) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hexanamide.

Molecular Properties

Compound Name6-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hexanamide
PubChem CID11645614
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name6-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hexanamide
SMILESCc1cn(Cc2ccc(CCCCCC(N)=O)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H23N3O3/c1-13-11-21(18(24)20-17(13)23)12-15-9-7-14(8-10-15)5-3-2-4-6-16(19)22/h7-11H,2-6,12H2,1H3,(H2,19,22)(H,20,23,24)
InChIKeyMOZTUKMQMWQZTL-UHFFFAOYSA-N
XLogP1.48
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hexanamide?
The IUPAC name of 6-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hexanamide (CID 11645614) is 6-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hexanamide.
What is the SMILES notation for 6-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hexanamide?
The canonical SMILES for 6-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hexanamide is Cc1cn(Cc2ccc(CCCCCC(N)=O)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hexanamide?
The InChIKey is MOZTUKMQMWQZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-11-21(18(24)20-17(13)23)12-15-9-7-14(8-10-15)5-3-2-4-6-16(19)22/h7-11H,2-6,12H2,1H3,(H2,19,22)(H,20,23,24).
What are the key properties of 6-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hexanamide?
6-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hexanamide has a molecular weight of 329.40 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hexanamide is sourced from PubChem (CID 11645614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).