N-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide

C23H32N2O3 — CID 55876114

IUPACN-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide
SMILESCCCOc1ccc(CN(CCC)C(=O)c2ccc(C)nc2C)cc1OCC
InChIInChI=1S/C23H32N2O3/c1-6-13-25(23(26)20-11-9-17(4)24-18(20)5)16-19-10-12-21(28-14-7-2)22(15-19)27-8-3/h9-12,15H,6-8,13-14,16H2,1-5H3
InChIKeyHSDCCJFKJPUXIC-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.94
Rot. Bonds10

About N-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide

N-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide (PubChem CID 55876114) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide
PubChem CID55876114
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide
SMILESCCCOc1ccc(CN(CCC)C(=O)c2ccc(C)nc2C)cc1OCC
InChIInChI=1S/C23H32N2O3/c1-6-13-25(23(26)20-11-9-17(4)24-18(20)5)16-19-10-12-21(28-14-7-2)22(15-19)27-8-3/h9-12,15H,6-8,13-14,16H2,1-5H3
InChIKeyHSDCCJFKJPUXIC-UHFFFAOYSA-N
XLogP4.94
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide
CID 55686789
N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55876241
2,6-dimethyl-N,N-dipropylpyridine-3-carboxamide
CID 87024383
N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 55502855
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119268681
N-[(3-ethoxy-4-propoxyphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)-N-propylpyridazine-3-carboxamide
CID 55429841
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55333044
N,N-diethyl-2,6-dimethylpyridine-3-carboxamide
CID 60924937
3-(2,3-dimethylphenyl)-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1-propylthiourea
CID 8628408

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide?
The IUPAC name of N-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide (CID 55876114) is N-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide is CCCOc1ccc(CN(CCC)C(=O)c2ccc(C)nc2C)cc1OCC.
What is the InChIKey of N-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide?
The InChIKey is HSDCCJFKJPUXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-6-13-25(23(26)20-11-9-17(4)24-18(20)5)16-19-10-12-21(28-14-7-2)22(15-19)27-8-3/h9-12,15H,6-8,13-14,16H2,1-5H3.
What are the key properties of N-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide?
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 4.94, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 55876114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).