3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide

C22H23N3O4 — CID 48666767

IUPAC3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(Oc3ncccn3)cc2C)cc1OC
InChIInChI=1S/C22H23N3O4/c1-15-13-17(29-22-23-11-4-12-24-22)7-8-18(15)25-21(26)10-6-16-5-9-19(27-2)20(14-16)28-3/h4-5,7-9,11-14H,6,10H2,1-3H3,(H,25,26)
InChIKeyPKTVSCVKZWQUJV-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.17
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide

3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide (PubChem CID 48666767) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide
PubChem CID48666767
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(Oc3ncccn3)cc2C)cc1OC
InChIInChI=1S/C22H23N3O4/c1-15-13-17(29-22-23-11-4-12-24-22)7-8-18(15)25-21(26)10-6-16-5-9-19(27-2)20(14-16)28-3/h4-5,7-9,11-14H,6,10H2,1-3H3,(H,25,26)
InChIKeyPKTVSCVKZWQUJV-UHFFFAOYSA-N
XLogP4.17
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide
CID 119753515
2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231676
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 27781319
3-(3,4-dimethoxyphenyl)-N-imidazo[1,2-a]pyridin-8-ylpropanamide
CID 110745748
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937
N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28867446
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide
CID 92677057
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide (CID 48666767) is 3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(Oc3ncccn3)cc2C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide?
The InChIKey is PKTVSCVKZWQUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-15-13-17(29-22-23-11-4-12-24-22)7-8-18(15)25-21(26)10-6-16-5-9-19(27-2)20(14-16)28-3/h4-5,7-9,11-14H,6,10H2,1-3H3,(H,25,26).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide has a molecular weight of 393.44 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide is sourced from PubChem (CID 48666767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).