N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide

C19H22ClN3O3 — CID 138992555

IUPACN-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC2(Cc3ccc(Cl)cc3)CCOC2)c(=O)n1
InChIInChI=1S/C19H22ClN3O3/c1-13-9-14(2)23(18(25)21-13)11-17(24)22-19(7-8-26-12-19)10-15-3-5-16(20)6-4-15/h3-6,9H,7-8,10-12H2,1-2H3,(H,22,24)
InChIKeyWSTIFKYGEHQGKX-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.03
Rot. Bonds5

About N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide

N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide (PubChem CID 138992555) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
PubChem CID138992555
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC2(Cc3ccc(Cl)cc3)CCOC2)c(=O)n1
InChIInChI=1S/C19H22ClN3O3/c1-13-9-14(2)23(18(25)21-13)11-17(24)22-19(7-8-26-12-19)10-15-3-5-16(20)6-4-15/h3-6,9H,7-8,10-12H2,1-2H3,(H,22,24)
InChIKeyWSTIFKYGEHQGKX-UHFFFAOYSA-N
XLogP2.03
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide (CID 138992555) is N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide is Cc1cc(C)n(CC(=O)NC2(Cc3ccc(Cl)cc3)CCOC2)c(=O)n1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
The InChIKey is WSTIFKYGEHQGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-13-9-14(2)23(18(25)21-13)11-17(24)22-19(7-8-26-12-19)10-15-3-5-16(20)6-4-15/h3-6,9H,7-8,10-12H2,1-2H3,(H,22,24).
What are the key properties of N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide has a molecular weight of 375.86 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 138992555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).