(2R)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide

C21H32N2O2 — CID 124743934

IUPAC(2R)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide
SMILESCCOc1ccc2c(c1)CN([C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C)CC2
InChIInChI=1S/C21H32N2O2/c1-4-25-19-10-9-17-11-12-23(14-18(17)13-19)16(3)21(24)22-20-8-6-5-7-15(20)2/h9-10,13,15-16,20H,4-8,11-12,14H2,1-3H3,(H,22,24)/t15-,16-,20-/m1/s1
InChIKeyZGQBSWBLSUUESJ-JXXFODFXSA-N
MW344.50 g/mol
LogP3.53
Rot. Bonds5

About (2R)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide

(2R)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide (PubChem CID 124743934) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (2R)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide
PubChem CID124743934
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name(2R)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide
SMILESCCOc1ccc2c(c1)CN([C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C)CC2
InChIInChI=1S/C21H32N2O2/c1-4-25-19-10-9-17-11-12-23(14-18(17)13-19)16(3)21(24)22-20-8-6-5-7-15(20)2/h9-10,13,15-16,20H,4-8,11-12,14H2,1-3H3,(H,22,24)/t15-,16-,20-/m1/s1
InChIKeyZGQBSWBLSUUESJ-JXXFODFXSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide with MolForge

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Related Compounds

[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7578479
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 8746280
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 31432669
(2R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 8592209
(2R)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide
CID 8993354
[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 11932259
(2S)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 124804974
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 8721271
methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8741766
1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea
CID 108884452
(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone
CID 167991950
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 8703916

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide (CID 124743934) is (2R)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide is CCOc1ccc2c(c1)CN([C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C)CC2.
What is the InChIKey of (2R)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
The InChIKey is ZGQBSWBLSUUESJ-JXXFODFXSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-4-25-19-10-9-17-11-12-23(14-18(17)13-19)16(3)21(24)22-20-8-6-5-7-15(20)2/h9-10,13,15-16,20H,4-8,11-12,14H2,1-3H3,(H,22,24)/t15-,16-,20-/m1/s1.
What are the key properties of (2R)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
(2R)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide has a molecular weight of 344.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 124743934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).