N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-propan-2-yloxybenzamide

C16H19N3O4 — CID 2148445

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1
InChIInChI=1S/C16H19N3O4/c1-10(2)23-12-7-5-11(6-8-12)15(21)17-13-9-14(20)19(4)16(22)18(13)3/h5-10H,1-4H3,(H,17,21)
InChIKeyNBIQRZYGMXUODU-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.12
Rot. Bonds4

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-propan-2-yloxybenzamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-propan-2-yloxybenzamide (PubChem CID 2148445) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-propan-2-yloxybenzamide
PubChem CID2148445
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1
InChIInChI=1S/C16H19N3O4/c1-10(2)23-12-7-5-11(6-8-12)15(21)17-13-9-14(20)19(4)16(22)18(13)3/h5-10H,1-4H3,(H,17,21)
InChIKeyNBIQRZYGMXUODU-UHFFFAOYSA-N
XLogP1.12
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-propan-2-yloxybenzamide (CID 2148445) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-propan-2-yloxybenzamide?
The InChIKey is NBIQRZYGMXUODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10(2)23-12-7-5-11(6-8-12)15(21)17-13-9-14(20)19(4)16(22)18(13)3/h5-10H,1-4H3,(H,17,21).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-propan-2-yloxybenzamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-propan-2-yloxybenzamide has a molecular weight of 317.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 2148445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).