(3,4-dimethoxyphenyl)-[2-[2-(ethylamino)ethoxy]-3-pyridinyl]methanone

C18H22N2O4 — CID 139666648

IUPAC(3,4-dimethoxyphenyl)-[2-[2-(ethylamino)ethoxy]-3-pyridinyl]methanone
SMILESCCNCCOc1ncccc1C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H22N2O4/c1-4-19-10-11-24-18-14(6-5-9-20-18)17(21)13-7-8-15(22-2)16(12-13)23-3/h5-9,12,19H,4,10-11H2,1-3H3
InChIKeyMFAZXOYBGMINHU-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.32
Rot. Bonds9

About (3,4-dimethoxyphenyl)-[2-[2-(ethylamino)ethoxy]-3-pyridinyl]methanone

(3,4-dimethoxyphenyl)-[2-[2-(ethylamino)ethoxy]-3-pyridinyl]methanone (PubChem CID 139666648) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[2-[2-(ethylamino)ethoxy]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[2-[2-(ethylamino)ethoxy]-3-pyridinyl]methanone
PubChem CID139666648
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name(3,4-dimethoxyphenyl)-[2-[2-(ethylamino)ethoxy]-3-pyridinyl]methanone
SMILESCCNCCOc1ncccc1C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H22N2O4/c1-4-19-10-11-24-18-14(6-5-9-20-18)17(21)13-7-8-15(22-2)16(12-13)23-3/h5-9,12,19H,4,10-11H2,1-3H3
InChIKeyMFAZXOYBGMINHU-UHFFFAOYSA-N
XLogP2.32
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone
CID 115605036
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
methyl 3-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723743
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
CID 102341182
4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine
CID 79597937
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
bis[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanone
CID 54160091
3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde
CID 140507897
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-ethoxypyridine-3-carboxamide
CID 162638617
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 18171085
2-ethoxy-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 7962641
2-methoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)pyridine-3-carbohydrazide
CID 55559824

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[2-[2-(ethylamino)ethoxy]-3-pyridinyl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[2-[2-(ethylamino)ethoxy]-3-pyridinyl]methanone (CID 139666648) is (3,4-dimethoxyphenyl)-[2-[2-(ethylamino)ethoxy]-3-pyridinyl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[2-[2-(ethylamino)ethoxy]-3-pyridinyl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[2-[2-(ethylamino)ethoxy]-3-pyridinyl]methanone is CCNCCOc1ncccc1C(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of (3,4-dimethoxyphenyl)-[2-[2-(ethylamino)ethoxy]-3-pyridinyl]methanone?
The InChIKey is MFAZXOYBGMINHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-19-10-11-24-18-14(6-5-9-20-18)17(21)13-7-8-15(22-2)16(12-13)23-3/h5-9,12,19H,4,10-11H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-[2-[2-(ethylamino)ethoxy]-3-pyridinyl]methanone?
(3,4-dimethoxyphenyl)-[2-[2-(ethylamino)ethoxy]-3-pyridinyl]methanone has a molecular weight of 330.38 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[2-[2-(ethylamino)ethoxy]-3-pyridinyl]methanone is sourced from PubChem (CID 139666648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).