2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide

C17H24N2O — CID 80554406

IUPAC2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2cccc3c2CCNC3)C1(C)C
InChIInChI=1S/C17H24N2O/c1-16(2)14(17(16,3)4)15(20)19-13-7-5-6-11-10-18-9-8-12(11)13/h5-7,14,18H,8-10H2,1-4H3,(H,19,20)
InChIKeyUFQQBFVTJOSTKQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.95
Rot. Bonds2

About 2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide

2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide (PubChem CID 80554406) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide
PubChem CID80554406
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2cccc3c2CCNC3)C1(C)C
InChIInChI=1S/C17H24N2O/c1-16(2)14(17(16,3)4)15(20)19-13-7-5-6-11-10-18-9-8-12(11)13/h5-7,14,18H,8-10H2,1-4H3,(H,19,20)
InChIKeyUFQQBFVTJOSTKQ-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopentane-1-carboxamide
CID 107176797
(2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide
CID 103806790
(2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide
CID 104856418
1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
CID 43808490
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808436
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-3-carboxamide
CID 80554325
2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547895
3-bromo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80554328
2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 80547709
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide
CID 80554577
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-carboxamide
CID 80554310
1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
CID 138021590

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide (CID 80554406) is 2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide is CC1(C)C(C(=O)Nc2cccc3c2CCNC3)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide?
The InChIKey is UFQQBFVTJOSTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-16(2)14(17(16,3)4)15(20)19-13-7-5-6-11-10-18-9-8-12(11)13/h5-7,14,18H,8-10H2,1-4H3,(H,19,20).
What are the key properties of 2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide?
2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80554406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).