N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide

C11H17N3O3 — CID 114217499

IUPACN-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide
SMILESCOCCCNC(=O)Cn1ccc(C)nc1=O
InChIInChI=1S/C11H17N3O3/c1-9-4-6-14(11(16)13-9)8-10(15)12-5-3-7-17-2/h4,6H,3,5,7-8H2,1-2H3,(H,12,15)
InChIKeyJQHVMAFVURDZQD-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.30
Rot. Bonds6

About N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide

N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide (PubChem CID 114217499) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide
PubChem CID114217499
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide
SMILESCOCCCNC(=O)Cn1ccc(C)nc1=O
InChIInChI=1S/C11H17N3O3/c1-9-4-6-14(11(16)13-9)8-10(15)12-5-3-7-17-2/h4,6H,3,5,7-8H2,1-2H3,(H,12,15)
InChIKeyJQHVMAFVURDZQD-UHFFFAOYSA-N
XLogP-0.30
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 44144255
N-butyl(4-butylimino-6-methyl-2-oxo-1,2,3,4-tetrahydro-3-pyrimidinyl)-acetamide
CID 129791878
2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one
CID 20711607
[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium
CID 59976274
2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one;methane
CID 158490253
[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;methane;yttrium
CID 158959432
[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+)
CID 20711611
2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide
CID 20711612
N-(3-methoxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39891646
N-cyclopentyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide
CID 113230936
N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide
CID 113230939
4-Methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one
CID 114217405

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide (CID 114217499) is N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide is COCCCNC(=O)Cn1ccc(C)nc1=O.
What is the InChIKey of N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide?
The InChIKey is JQHVMAFVURDZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-9-4-6-14(11(16)13-9)8-10(15)12-5-3-7-17-2/h4,6H,3,5,7-8H2,1-2H3,(H,12,15).
What are the key properties of N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide?
N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide has a molecular weight of 239.27 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 114217499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).