N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C23H28N2O3 — CID 55559572

IUPACN-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCCc2ccccc21
InChIInChI=1S/C23H28N2O3/c1-3-15-25(16-22(26)24-20-13-6-7-14-21(20)28-2)23(27)19-12-8-10-17-9-4-5-11-18(17)19/h4-7,9,11,13-14,19H,3,8,10,12,15-16H2,1-2H3,(H,24,26)
InChIKeyYBIRNWXKHNDUMN-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.99
Rot. Bonds7

About N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 55559572) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID55559572
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCCc2ccccc21
InChIInChI=1S/C23H28N2O3/c1-3-15-25(16-22(26)24-20-13-6-7-14-21(20)28-2)23(27)19-12-8-10-17-9-4-5-11-18(17)19/h4-7,9,11,13-14,19H,3,8,10,12,15-16H2,1-2H3,(H,24,26)
InChIKeyYBIRNWXKHNDUMN-UHFFFAOYSA-N
XLogP3.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 119267704
(3R)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7718891
(3S)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7718890
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 75805478
N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
N-(2,5-dimethoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260607
4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide
CID 119267716
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261077
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpentanamide;hydrochloride
CID 119267711
2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide
CID 134008468

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 55559572) is N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCCc2ccccc21.
What is the InChIKey of N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is YBIRNWXKHNDUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-15-25(16-22(26)24-20-13-6-7-14-21(20)28-2)23(27)19-12-8-10-17-9-4-5-11-18(17)19/h4-7,9,11,13-14,19H,3,8,10,12,15-16H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 55559572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).