N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide

C18H18N2O2 — CID 690423

IUPACN-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C18H18N2O2/c1-13(21)19-17-8-6-15(7-9-17)18(22)20-11-10-14-4-2-3-5-16(14)12-20/h2-9H,10-12H2,1H3,(H,19,21)
InChIKeyYHDREMPHWUNFGF-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.84
Rot. Bonds2

About N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide

N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide (PubChem CID 690423) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide
PubChem CID690423
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C18H18N2O2/c1-13(21)19-17-8-6-15(7-9-17)18(22)20-11-10-14-4-2-3-5-16(14)12-20/h2-9H,10-12H2,1H3,(H,19,21)
InChIKeyYHDREMPHWUNFGF-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 17018926
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone
CID 62249019
ethyl N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]carbamate
CID 27659678
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109047927
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide
CID 2977810
N-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]acetamide
CID 18108201
N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
CID 109047928
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2975267
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 1428300
N-[4-[3-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl]phenyl]acetamide
CID 53140183
methyl 4-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate
CID 856666
N-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
CID 109047922

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide (CID 690423) is N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1.
What is the InChIKey of N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide?
The InChIKey is YHDREMPHWUNFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13(21)19-17-8-6-15(7-9-17)18(22)20-11-10-14-4-2-3-5-16(14)12-20/h2-9H,10-12H2,1H3,(H,19,21).
What are the key properties of N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide?
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide has a molecular weight of 294.35 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide is sourced from PubChem (CID 690423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).