N-(2-methylphenyl)-2-[(1S)-2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl]acetamide

C21H26N2O — CID 824734

IUPACN-(2-methylphenyl)-2-[(1S)-2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl]acetamide
SMILESCc1ccccc1NC(=O)C[C@H]1c2ccccc2CC(C)(C)N1C
InChIInChI=1S/C21H26N2O/c1-15-9-5-8-12-18(15)22-20(24)13-19-17-11-7-6-10-16(17)14-21(2,3)23(19)4/h5-12,19H,13-14H2,1-4H3,(H,22,24)/t19-/m0/s1
InChIKeyUKYROQSLELFTPS-IBGZPJMESA-N
MW322.45 g/mol
LogP4.33
Rot. Bonds3

About N-(2-methylphenyl)-2-[(1S)-2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl]acetamide

N-(2-methylphenyl)-2-[(1S)-2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl]acetamide (PubChem CID 824734) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[(1S)-2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[(1S)-2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl]acetamide
PubChem CID824734
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-(2-methylphenyl)-2-[(1S)-2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl]acetamide
SMILESCc1ccccc1NC(=O)C[C@H]1c2ccccc2CC(C)(C)N1C
InChIInChI=1S/C21H26N2O/c1-15-9-5-8-12-18(15)22-20(24)13-19-17-11-7-6-10-16(17)14-21(2,3)23(19)4/h5-12,19H,13-14H2,1-4H3,(H,22,24)/t19-/m0/s1
InChIKeyUKYROQSLELFTPS-IBGZPJMESA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[(1S)-2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[(1S)-2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl]acetamide (CID 824734) is N-(2-methylphenyl)-2-[(1S)-2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[(1S)-2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[(1S)-2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl]acetamide is Cc1ccccc1NC(=O)C[C@H]1c2ccccc2CC(C)(C)N1C.
What is the InChIKey of N-(2-methylphenyl)-2-[(1S)-2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl]acetamide?
The InChIKey is UKYROQSLELFTPS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O/c1-15-9-5-8-12-18(15)22-20(24)13-19-17-11-7-6-10-16(17)14-21(2,3)23(19)4/h5-12,19H,13-14H2,1-4H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-(2-methylphenyl)-2-[(1S)-2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl]acetamide?
N-(2-methylphenyl)-2-[(1S)-2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl]acetamide has a molecular weight of 322.45 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[(1S)-2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl]acetamide is sourced from PubChem (CID 824734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).