(1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C24H24N2O — CID 92767297

IUPAC(1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C24H24N2O/c1-17-7-11-20(12-8-17)23-22-6-4-3-5-19(22)15-16-26(23)24(27)25-21-13-9-18(2)10-14-21/h3-14,23H,15-16H2,1-2H3,(H,25,27)/t23-/m0/s1
InChIKeyITBHQRCZQXQDFK-QHCPKHFHSA-N
MW356.47 g/mol
LogP5.48
Rot. Bonds2

About (1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

(1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 92767297) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is (1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name(1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID92767297
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name(1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C24H24N2O/c1-17-7-11-20(12-8-17)23-22-6-4-3-5-19(22)15-16-26(23)24(27)25-21-13-9-18(2)10-14-21/h3-14,23H,15-16H2,1-2H3,(H,25,27)/t23-/m0/s1
InChIKeyITBHQRCZQXQDFK-QHCPKHFHSA-N
XLogP5.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 135391620
(1R)-1-(4-fluorophenyl)-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92767509
(1R)-6,7-dimethoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92541937
(1R)-N-(4-methoxy-2-methylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92768400
[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 46095510
(1R)-N-(3-fluorophenyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92767632
3-methyl-1-[(1R)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]but-2-en-1-one
CID 92757749
1-[(1S)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-diphenylethanone
CID 92818850
(1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 59536396
furan-2-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 42691571
(1R)-1-(2-chlorophenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92768228
methyl 3-[[(1R)-1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate
CID 92769753

Frequently Asked Questions

What is the IUPAC name of (1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of (1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 92767297) is (1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for (1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for (1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is Cc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(C)cc2)cc1.
What is the InChIKey of (1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is ITBHQRCZQXQDFK-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24N2O/c1-17-7-11-20(12-8-17)23-22-6-4-3-5-19(22)15-16-26(23)24(27)25-21-13-9-18(2)10-14-21/h3-14,23H,15-16H2,1-2H3,(H,25,27)/t23-/m0/s1.
What are the key properties of (1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
(1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 92767297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).