(1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C24H24N2O2 — CID 168865360

IUPAC(1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)c1
InChIInChI=1S/C24H24N2O2/c1-28-21-12-7-8-18(16-21)17-25-24(27)26-15-14-19-9-5-6-13-22(19)23(26)20-10-3-2-4-11-20/h2-13,16,23H,14-15,17H2,1H3,(H,25,27)/t23-/m0/s1
InChIKeyCPJDKYYUGKPLMK-QHCPKHFHSA-N
MW372.47 g/mol
LogP4.55
Rot. Bonds4

About (1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

(1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 168865360) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID168865360
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name(1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)c1
InChIInChI=1S/C24H24N2O2/c1-28-21-12-7-8-18(16-21)17-25-24(27)26-15-14-19-9-5-6-13-22(19)23(26)20-10-3-2-4-11-20/h2-13,16,23H,14-15,17H2,1H3,(H,25,27)/t23-/m0/s1
InChIKeyCPJDKYYUGKPLMK-QHCPKHFHSA-N
XLogP4.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-N-[(3-methoxyphenyl)methyl]-4-phenyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92747836
(4R)-N-[(3-methoxyphenyl)methyl]-4-phenyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92747837
methyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67079072
1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61208248
N-[(3-fluorophenyl)methyl]-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide
CID 129384265
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61208442
N-[(3-chlorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110312286
(1R)-N-(4-methoxy-2-methylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92768400
(1S)-1-phenyl-N-(thietan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 166255511
(1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 135391620
(1R)-1-(2-chlorophenyl)-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92768727
ethyl 7-methoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110289304

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of (1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 168865360) is (1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for (1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for (1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1cccc(CNC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)c1.
What is the InChIKey of (1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is CPJDKYYUGKPLMK-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-28-21-12-7-8-18(16-21)17-25-24(27)26-15-14-19-9-5-6-13-22(19)23(26)20-10-3-2-4-11-20/h2-13,16,23H,14-15,17H2,1H3,(H,25,27)/t23-/m0/s1.
What are the key properties of (1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
(1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 168865360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).