N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide

C24H30N2O4 — CID 42710582

IUPACN-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide
SMILESCOCCN(CC(=O)N1CCc2ccccc2C1C)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C24H30N2O4/c1-18-22-7-5-4-6-20(22)12-13-26(18)24(28)17-25(14-15-29-2)23(27)16-19-8-10-21(30-3)11-9-19/h4-11,18H,12-17H2,1-3H3
InChIKeyXNCILXBVWWFCCR-UHFFFAOYSA-N
MW410.51 g/mol
LogP2.86
Rot. Bonds8

About N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide

N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide (PubChem CID 42710582) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide
PubChem CID42710582
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide
SMILESCOCCN(CC(=O)N1CCc2ccccc2C1C)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C24H30N2O4/c1-18-22-7-5-4-6-20(22)12-13-26(18)24(28)17-25(14-15-29-2)23(27)16-19-8-10-21(30-3)11-9-19/h4-11,18H,12-17H2,1-3H3
InChIKeyXNCILXBVWWFCCR-UHFFFAOYSA-N
XLogP2.86
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]propanamide
CID 42710571
3-cyclopentyl-N-(2-methoxyethyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]propanamide
CID 42710574
N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-pentylpentanamide
CID 42710688
1-hexyl-3-(4-methoxyphenyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]urea
CID 3400414
N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]heptanamide
CID 42710652
N-(2-methoxyethyl)-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide
CID 3548606
N-(2-methoxyethyl)-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide
CID 93167555
3-(2,4-dimethoxyphenyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(2-methylpropyl)urea
CID 42710044
2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 3999450
2-amino-3-methoxy-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride
CID 120993108
2,2-dichloro-N-hexyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide
CID 42710873
ethyl 2-[[methyl-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamoyl]amino]acetate
CID 42710564

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide (CID 42710582) is N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide is COCCN(CC(=O)N1CCc2ccccc2C1C)C(=O)Cc1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide?
The InChIKey is XNCILXBVWWFCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-18-22-7-5-4-6-20(22)12-13-26(18)24(28)17-25(14-15-29-2)23(27)16-19-8-10-21(30-3)11-9-19/h4-11,18H,12-17H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide?
N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide has a molecular weight of 410.51 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 42710582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).