N-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide

C14H21N3O3 — CID 49047645

IUPACN-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NCCCOC1CCCC1
InChIInChI=1S/C14H21N3O3/c18-13(11-17-9-3-7-16-14(17)19)15-8-4-10-20-12-5-1-2-6-12/h3,7,9,12H,1-2,4-6,8,10-11H2,(H,15,18)
InChIKeyKXPWPCDLOWFOON-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.71
Rot. Bonds7

About N-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 49047645) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID49047645
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NCCCOC1CCCC1
InChIInChI=1S/C14H21N3O3/c18-13(11-17-9-3-7-16-14(17)19)15-8-4-10-20-12-5-1-2-6-12/h3,7,9,12H,1-2,4-6,8,10-11H2,(H,15,18)
InChIKeyKXPWPCDLOWFOON-UHFFFAOYSA-N
XLogP0.71
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.71
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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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 49047645) is N-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)NCCCOC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is KXPWPCDLOWFOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-13(11-17-9-3-7-16-14(17)19)15-8-4-10-20-12-5-1-2-6-12/h3,7,9,12H,1-2,4-6,8,10-11H2,(H,15,18).
What are the key properties of N-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 49047645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).