N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide

C28H39ClN4O — CID 130273972

IUPACN-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCN(Cc1ccccc1Cl)C(=O)CNc1cccc2c1CN(CC1CC1)CC2(C)C
InChIInChI=1S/C28H39ClN4O/c1-28(2)20-32(17-21-12-13-21)19-23-24(28)9-7-11-26(23)30-16-27(34)33(15-14-31(3)4)18-22-8-5-6-10-25(22)29/h5-11,21,30H,12-20H2,1-4H3
InChIKeyLFXWPMPSPIOFFN-UHFFFAOYSA-N
MW483.10 g/mol
LogP4.85
Rot. Bonds10

About N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide

N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 130273972) has the molecular formula C28H39ClN4O and a molecular weight of 483.10 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID130273972
Molecular FormulaC28H39ClN4O
Molecular Weight483.10 g/mol
Exact Mass482.28
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCN(Cc1ccccc1Cl)C(=O)CNc1cccc2c1CN(CC1CC1)CC2(C)C
InChIInChI=1S/C28H39ClN4O/c1-28(2)20-32(17-21-12-13-21)19-23-24(28)9-7-11-26(23)30-16-27(34)33(15-14-31(3)4)18-22-8-5-6-10-25(22)29/h5-11,21,30H,12-20H2,1-4H3
InChIKeyLFXWPMPSPIOFFN-UHFFFAOYSA-N
XLogP4.85
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.10
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide
CID 86343744
2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-[methyl(prop-2-ynyl)amino]ethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 121283321
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 121283352
2-[[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 121283380
2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[(2,4-difluorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 86345366
N-[2-(dimethylamino)ethyl]-2-[(2-ethyl-3-oxo-1,4-dihydroisoquinolin-8-yl)amino]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 130273316
2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-(2-piperazin-1-ylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 121283411
2-[(2-benzoyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-N-benzyl-N-[2-(dimethylamino)ethyl]acetamide
CID 130272888
N-benzyl-N-[3-(dimethylamino)propyl]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetamide
CID 130273288
2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 130273254
N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide
CID 60936936
N-[2-(dimethylamino)ethyl]-2-[[4-(2-methylpropyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 121378963

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide (CID 130273972) is N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCN(Cc1ccccc1Cl)C(=O)CNc1cccc2c1CN(CC1CC1)CC2(C)C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is LFXWPMPSPIOFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39ClN4O/c1-28(2)20-32(17-21-12-13-21)19-23-24(28)9-7-11-26(23)30-16-27(34)33(15-14-31(3)4)18-22-8-5-6-10-25(22)29/h5-11,21,30H,12-20H2,1-4H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 483.10 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-4,4-dimethyl-1,3-dihydroisoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 130273972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).