2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide

C16H22N2O2 — CID 53014905

IUPAC2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESCCN(CC)C(=O)C1c2ccccc2CCN1C(C)=O
InChIInChI=1S/C16H22N2O2/c1-4-17(5-2)16(20)15-14-9-7-6-8-13(14)10-11-18(15)12(3)19/h6-9,15H,4-5,10-11H2,1-3H3
InChIKeyHRISAXNHHQQZLV-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.00
Rot. Bonds3

About 2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide

2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide (PubChem CID 53014905) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide.

Molecular Properties

Compound Name2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
PubChem CID53014905
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESCCN(CC)C(=O)C1c2ccccc2CCN1C(C)=O
InChIInChI=1S/C16H22N2O2/c1-4-17(5-2)16(20)15-14-9-7-6-8-13(14)10-11-18(15)12(3)19/h6-9,15H,4-5,10-11H2,1-3H3
InChIKeyHRISAXNHHQQZLV-UHFFFAOYSA-N
XLogP2.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 53014903
N,N-diethyl-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide
CID 21126751
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide
CID 134049116
2-acetyl-N-(3-methoxypropyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 71838203
2-acetyl-N-[(3,5-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 53167554
N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 113237086
2-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 68712464
(1R)-2-acetyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 95101655
2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232200
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-propylacetamide
CID 134044590
ethyl 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-3-oxobutanoate
CID 10859641
2-acetyl-N-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 53167550

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The IUPAC name of 2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide (CID 53014905) is 2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide.
What is the SMILES notation for 2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The canonical SMILES for 2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide is CCN(CC)C(=O)C1c2ccccc2CCN1C(C)=O.
What is the InChIKey of 2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The InChIKey is HRISAXNHHQQZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-17(5-2)16(20)15-14-9-7-6-8-13(14)10-11-18(15)12(3)19/h6-9,15H,4-5,10-11H2,1-3H3.
What are the key properties of 2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide is sourced from PubChem (CID 53014905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).