2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide

C19H27N3O3 — CID 166204006

IUPAC2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)CN1CC=CCC1
InChIInChI=1S/C19H27N3O3/c1-3-11-22(19(24)15-21-12-7-4-8-13-21)14-18(23)20-16-9-5-6-10-17(16)25-2/h4-7,9-10H,3,8,11-15H2,1-2H3,(H,20,23)
InChIKeyKAPDYWTVXBRLBK-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.13
Rot. Bonds8

About 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide

2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide (PubChem CID 166204006) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
PubChem CID166204006
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)CN1CC=CCC1
InChIInChI=1S/C19H27N3O3/c1-3-11-22(19(24)15-21-12-7-4-8-13-21)14-18(23)20-16-9-5-6-10-17(16)25-2/h4-7,9-10H,3,8,11-15H2,1-2H3,(H,20,23)
InChIKeyKAPDYWTVXBRLBK-UHFFFAOYSA-N
XLogP2.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 119267704
N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide
CID 25162663
4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide
CID 119267716
[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 8580905
2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide
CID 8620896
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpentanamide;hydrochloride
CID 119267711
2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9199505
2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 8786909
2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9006277
N-(2-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]-propylamino]acetamide
CID 9200820
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138
2-[azetidin-3-yl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 66216109

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide (CID 166204006) is 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide is CCCN(CC(=O)Nc1ccccc1OC)C(=O)CN1CC=CCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide?
The InChIKey is KAPDYWTVXBRLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-11-22(19(24)15-21-12-7-4-8-13-21)14-18(23)20-16-9-5-6-10-17(16)25-2/h4-7,9-10H,3,8,11-15H2,1-2H3,(H,20,23).
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide?
2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide has a molecular weight of 345.44 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide is sourced from PubChem (CID 166204006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).