N-[(3,4-dimethoxyphenyl)methyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide

C19H25N3O4 — CID 135977033

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)CCc2c(C)nc(C)[nH]c2=O)cc1OC
InChIInChI=1S/C19H25N3O4/c1-12-15(19(24)21-13(2)20-12)7-9-18(23)22(3)11-14-6-8-16(25-4)17(10-14)26-5/h6,8,10H,7,9,11H2,1-5H3,(H,20,21,24)
InChIKeyOJOWNEVXZMCBLL-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.00
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide

N-[(3,4-dimethoxyphenyl)methyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide (PubChem CID 135977033) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide
PubChem CID135977033
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)CCc2c(C)nc(C)[nH]c2=O)cc1OC
InChIInChI=1S/C19H25N3O4/c1-12-15(19(24)21-13(2)20-12)7-9-18(23)22(3)11-14-6-8-16(25-4)17(10-14)26-5/h6,8,10H,7,9,11H2,1-5H3,(H,20,21,24)
InChIKeyOJOWNEVXZMCBLL-UHFFFAOYSA-N
XLogP2.00
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide (CID 135977033) is N-[(3,4-dimethoxyphenyl)methyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide is COc1ccc(CN(C)C(=O)CCc2c(C)nc(C)[nH]c2=O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide?
The InChIKey is OJOWNEVXZMCBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12-15(19(24)21-13(2)20-12)7-9-18(23)22(3)11-14-6-8-16(25-4)17(10-14)26-5/h6,8,10H,7,9,11H2,1-5H3,(H,20,21,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide has a molecular weight of 359.43 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide is sourced from PubChem (CID 135977033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).