N-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide

C21H24N2O3 — CID 57280943

IUPACN-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)CN1CCc2cc(OCc3ccccc3)ccc2C1=O
InChIInChI=1S/C21H24N2O3/c1-15(22-16(2)24)13-23-11-10-18-12-19(8-9-20(18)21(23)25)26-14-17-6-4-3-5-7-17/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,22,24)
InChIKeyOWVZZFIICCCVJM-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.79
Rot. Bonds6

About N-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide

N-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide (PubChem CID 57280943) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide
PubChem CID57280943
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)CN1CCc2cc(OCc3ccccc3)ccc2C1=O
InChIInChI=1S/C21H24N2O3/c1-15(22-16(2)24)13-23-11-10-18-12-19(8-9-20(18)21(23)25)26-14-17-6-4-3-5-7-17/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,22,24)
InChIKeyOWVZZFIICCCVJM-UHFFFAOYSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide with MolForge

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Related Compounds

ethyl 2-methyl-2-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoate
CID 23525929
ethyl 2-[6-[(3-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate
CID 69037826
(2S)-2-[6-[(3-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanamide
CID 69038301
1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione
CID 122641936
1-[(1S)-2-acetyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanone
CID 71052926
2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
CID 122641879
methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 59590801
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
N-[1-(6-phenylmethoxy-3H-indol-2-yl)ethyl]acetamide
CID 58047620
ethyl 2-[6-[(4-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoate
CID 69035867
6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-(2-phenylmethoxyethyl)-3,4-dihydroisoquinolin-1-one
CID 142613323
9-(2,2-difluoroethoxy)-1-methyl-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
CID 122650356

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide?
The IUPAC name of N-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide (CID 57280943) is N-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide is CC(=O)NC(C)CN1CCc2cc(OCc3ccccc3)ccc2C1=O.
What is the InChIKey of N-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide?
The InChIKey is OWVZZFIICCCVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(22-16(2)24)13-23-11-10-18-12-19(8-9-20(18)21(23)25)26-14-17-6-4-3-5-7-17/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide?
N-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide has a molecular weight of 352.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 57280943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).