N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide

C22H24N2O3 — CID 16943471

IUPACN-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2
InChIInChI=1S/C22H24N2O3/c1-2-27-20-6-4-3-5-19(20)21(25)23-18-10-9-15-11-12-24(14-17(15)13-18)22(26)16-7-8-16/h3-6,9-10,13,16H,2,7-8,11-12,14H2,1H3,(H,23,25)
InChIKeyKYLFPQDILHCHNY-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.63
Rot. Bonds5

About N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide

N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide (PubChem CID 16943471) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide
PubChem CID16943471
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2
InChIInChI=1S/C22H24N2O3/c1-2-27-20-6-4-3-5-19(20)21(25)23-18-10-9-15-11-12-24(14-17(15)13-18)22(26)16-7-8-16/h3-6,9-10,13,16H,2,7-8,11-12,14H2,1H3,(H,23,25)
InChIKeyKYLFPQDILHCHNY-UHFFFAOYSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-phenoxybenzamide
CID 16943485
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-ethoxybenzamide
CID 16943535
2-ethoxy-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930837
2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16942951
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropanecarboxamide
CID 16943500
2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 18687364
2,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943511
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,4-diethoxybenzamide
CID 16943640
methyl 7-[(2-phenoxybenzoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034862
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propan-2-yloxybenzamide
CID 16943470
methyl 7-[(3,4-diethoxybenzoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034857

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide?
The IUPAC name of N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide (CID 16943471) is N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2.
What is the InChIKey of N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide?
The InChIKey is KYLFPQDILHCHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-2-27-20-6-4-3-5-19(20)21(25)23-18-10-9-15-11-12-24(14-17(15)13-18)22(26)16-7-8-16/h3-6,9-10,13,16H,2,7-8,11-12,14H2,1H3,(H,23,25).
What are the key properties of N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide?
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide has a molecular weight of 364.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide is sourced from PubChem (CID 16943471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).