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

C27H28N2O2 — CID 42710532

IUPACN-methyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,2-diphenylacetamide
SMILESCC1c2ccccc2CCN1C(=O)CN(C)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O2/c1-20-24-16-10-9-11-21(24)17-18-29(20)25(30)19-28(2)27(31)26(22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-16,20,26H,17-19H2,1-2H3
InChIKeyHMZNSNMMBVZCML-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.42
Rot. Bonds5

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

N-methyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,2-diphenylacetamide (PubChem CID 42710532) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-methyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,2-diphenylacetamide
PubChem CID42710532
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC NameN-methyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,2-diphenylacetamide
SMILESCC1c2ccccc2CCN1C(=O)CN(C)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O2/c1-20-24-16-10-9-11-21(24)17-18-29(20)25(30)19-28(2)27(31)26(22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-16,20,26H,17-19H2,1-2H3
InChIKeyHMZNSNMMBVZCML-UHFFFAOYSA-N
XLogP4.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,2-diphenylacetamide with MolForge

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Related Compounds

2-chloro-N-methyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzamide
CID 42710518
ethyl 2-[[methyl-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamoyl]amino]acetate
CID 42710564
2,2-dichloro-N-hexyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide
CID 42710873
N-(2-methoxyethyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]propanamide
CID 42710571
N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-pentylpentanamide
CID 42710688
N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]heptanamide
CID 42710652
3-cyclohexyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(2-methylpropyl)urea
CID 42710039
3,4-dichloro-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 42710680
N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide
CID 42710582
2-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212675
[4-(aminomethyl)phenyl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 119320591
N-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylethanesulfonamide
CID 71977663

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,2-diphenylacetamide?
The IUPAC name of N-methyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,2-diphenylacetamide (CID 42710532) is N-methyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-methyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-methyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,2-diphenylacetamide is CC1c2ccccc2CCN1C(=O)CN(C)C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,2-diphenylacetamide?
The InChIKey is HMZNSNMMBVZCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-20-24-16-10-9-11-21(24)17-18-29(20)25(30)19-28(2)27(31)26(22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-16,20,26H,17-19H2,1-2H3.
What are the key properties of N-methyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,2-diphenylacetamide?
N-methyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,2-diphenylacetamide has a molecular weight of 412.53 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 42710532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).