N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide

C26H35ClN4O — CID 86343744

IUPACN-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCN(Cc1ccccc1Cl)C(=O)CNc1cccc2c1CCN(CC1CC1)C2
InChIInChI=1S/C26H35ClN4O/c1-29(2)14-15-31(19-22-6-3-4-8-24(22)27)26(32)16-28-25-9-5-7-21-18-30(13-12-23(21)25)17-20-10-11-20/h3-9,20,28H,10-19H2,1-2H3
InChIKeyFRSPBPBETCUFLZ-UHFFFAOYSA-N
MW455.05 g/mol
LogP4.11
Rot. Bonds10

About N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide

N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 86343744) has the molecular formula C26H35ClN4O and a molecular weight of 455.05 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID86343744
Molecular FormulaC26H35ClN4O
Molecular Weight455.05 g/mol
Exact Mass454.25
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCN(Cc1ccccc1Cl)C(=O)CNc1cccc2c1CCN(CC1CC1)C2
InChIInChI=1S/C26H35ClN4O/c1-29(2)14-15-31(19-22-6-3-4-8-24(22)27)26(32)16-28-25-9-5-7-21-18-30(13-12-23(21)25)17-20-10-11-20/h3-9,20,28H,10-19H2,1-2H3
InChIKeyFRSPBPBETCUFLZ-UHFFFAOYSA-N
XLogP4.11
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.05
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide (CID 86343744) is N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCN(Cc1ccccc1Cl)C(=O)CNc1cccc2c1CCN(CC1CC1)C2.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is FRSPBPBETCUFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN4O/c1-29(2)14-15-31(19-22-6-3-4-8-24(22)27)26(32)16-28-25-9-5-7-21-18-30(13-12-23(21)25)17-20-10-11-20/h3-9,20,28H,10-19H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 455.05 g/mol, XLogP of 4.11, 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)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 86343744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).