3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one

C18H24N2O2 — CID 82526362

IUPAC3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
SMILESCOCCCn1cccc(C(N)c2cc(C)ccc2C)c1=O
InChIInChI=1S/C18H24N2O2/c1-13-7-8-14(2)16(12-13)17(19)15-6-4-9-20(18(15)21)10-5-11-22-3/h4,6-9,12,17H,5,10-11,19H2,1-3H3
InChIKeyPDCLKRWYWMDPRS-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.55
Rot. Bonds6

About 3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one

3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one (PubChem CID 82526362) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one.

Molecular Properties

Compound Name3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
PubChem CID82526362
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
SMILESCOCCCn1cccc(C(N)c2cc(C)ccc2C)c1=O
InChIInChI=1S/C18H24N2O2/c1-13-7-8-14(2)16(12-13)17(19)15-6-4-9-20(18(15)21)10-5-11-22-3/h4,6-9,12,17H,5,10-11,19H2,1-3H3
InChIKeyPDCLKRWYWMDPRS-UHFFFAOYSA-N
XLogP2.55
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one?
The IUPAC name of 3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one (CID 82526362) is 3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one.
What is the SMILES notation for 3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one?
The canonical SMILES for 3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one is COCCCn1cccc(C(N)c2cc(C)ccc2C)c1=O.
What is the InChIKey of 3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one?
The InChIKey is PDCLKRWYWMDPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-7-8-14(2)16(12-13)17(19)15-6-4-9-20(18(15)21)10-5-11-22-3/h4,6-9,12,17H,5,10-11,19H2,1-3H3.
What are the key properties of 3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one?
3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one is sourced from PubChem (CID 82526362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).