3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide

C18H22N2O2 — CID 18155598

IUPAC3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)CCc2ccc(C)cc2C)ccn1
InChIInChI=1S/C18H22N2O2/c1-13-4-5-16(14(2)10-13)6-7-17(21)20-12-15-8-9-19-18(11-15)22-3/h4-5,8-11H,6-7,12H2,1-3H3,(H,20,21)
InChIKeyFIXDQEKIHLQGKA-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.96
Rot. Bonds6

About 3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide

3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide (PubChem CID 18155598) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
PubChem CID18155598
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)CCc2ccc(C)cc2C)ccn1
InChIInChI=1S/C18H22N2O2/c1-13-4-5-16(14(2)10-13)6-7-17(21)20-12-15-8-9-19-18(11-15)22-3/h4-5,8-11H,6-7,12H2,1-3H3,(H,20,21)
InChIKeyFIXDQEKIHLQGKA-UHFFFAOYSA-N
XLogP2.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
3-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18167253
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 62994356
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dimethylphenyl)propanamide
CID 36937319
N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
CID 172903796
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide
CID 82012306
3-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 86919796
3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18129621
N-[(2-methoxy-4-pyridinyl)methyl]-2-naphthalen-2-ylacetamide
CID 18167281
2-(2,6-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167318
3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 51087807

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide (CID 18155598) is 3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide is COc1cc(CNC(=O)CCc2ccc(C)cc2C)ccn1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide?
The InChIKey is FIXDQEKIHLQGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-4-5-16(14(2)10-13)6-7-17(21)20-12-15-8-9-19-18(11-15)22-3/h4-5,8-11H,6-7,12H2,1-3H3,(H,20,21).
What are the key properties of 3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide?
3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 18155598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).