N-[3-[(1R,3R)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-2,2-dimethylpropanamide

C20H30N2O3 — CID 97348886

IUPACN-[3-[(1R,3R)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOc1ccc2c(c1)C[C@@H](C)N(C(=O)CCNC(=O)C(C)(C)C)[C@@H]2C
InChIInChI=1S/C20H30N2O3/c1-13-11-15-12-16(25-6)7-8-17(15)14(2)22(13)18(23)9-10-21-19(24)20(3,4)5/h7-8,12-14H,9-11H2,1-6H3,(H,21,24)/t13-,14-/m1/s1
InChIKeyFMAZJBILFVDQTH-ZIAGYGMSSA-N
MW346.47 g/mol
LogP3.08
Rot. Bonds4

About N-[3-[(1R,3R)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[(1R,3R)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 97348886) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[3-[(1R,3R)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(1R,3R)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID97348886
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[3-[(1R,3R)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOc1ccc2c(c1)C[C@@H](C)N(C(=O)CCNC(=O)C(C)(C)C)[C@@H]2C
InChIInChI=1S/C20H30N2O3/c1-13-11-15-12-16(25-6)7-8-17(15)14(2)22(13)18(23)9-10-21-19(24)20(3,4)5/h7-8,12-14H,9-11H2,1-6H3,(H,21,24)/t13-,14-/m1/s1
InChIKeyFMAZJBILFVDQTH-ZIAGYGMSSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[(1R,3R)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-2,2-dimethylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

3-(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 120552817
(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methylpyridazin-4-yl)methanone
CID 136534984
1-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
CID 110314223
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol
CID 124739408
N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18154986
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide
CID 54774387
6-methoxy-3-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110663101
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539
tert-butyl N-[3-[(1S,3S)-6-methoxy-3-methyl-2-(3-trimethylsilylprop-2-ynoyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
CID 171054005
ethyl N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]carbamate
CID 55683726

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R,3R)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[(1R,3R)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-2,2-dimethylpropanamide (CID 97348886) is N-[3-[(1R,3R)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[(1R,3R)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[(1R,3R)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-2,2-dimethylpropanamide is COc1ccc2c(c1)C[C@@H](C)N(C(=O)CCNC(=O)C(C)(C)C)[C@@H]2C.
What is the InChIKey of N-[3-[(1R,3R)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is FMAZJBILFVDQTH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-13-11-15-12-16(25-6)7-8-17(15)14(2)22(13)18(23)9-10-21-19(24)20(3,4)5/h7-8,12-14H,9-11H2,1-6H3,(H,21,24)/t13-,14-/m1/s1.
What are the key properties of N-[3-[(1R,3R)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[(1R,3R)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 346.47 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R,3R)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 97348886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).