trans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide

C21H28N2O3 — CID 100775596

IUPACtrans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide
SMILESCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c3ncccc23)CCC[C@@H](C)C1
InChIInChI=1S/C21H28N2O3/c1-14(2)26-18-10-9-17(16-8-6-12-22-19(16)18)23-20(24)21(25-4)11-5-7-15(3)13-21/h6,8-10,12,14-15H,5,7,11,13H2,1-4H3,(H,23,24)/t15-,21+/m1/s1
InChIKeyJWESGXHDTUTCCA-VFNWGFHPSA-N
MW356.47 g/mol
LogP4.56
Rot. Bonds5

About trans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide

trans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide (PubChem CID 100775596) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is trans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide
PubChem CID100775596
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Nametrans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide
SMILESCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c3ncccc23)CCC[C@@H](C)C1
InChIInChI=1S/C21H28N2O3/c1-14(2)26-18-10-9-17(16-8-6-12-22-19(16)18)23-20(24)21(25-4)11-5-7-15(3)13-21/h6,8-10,12,14-15H,5,7,11,13H2,1-4H3,(H,23,24)/t15-,21+/m1/s1
InChIKeyJWESGXHDTUTCCA-VFNWGFHPSA-N
XLogP4.56
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

trans-(1R,3S)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide
CID 100775604
trans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide
CID 100775557
1-methoxy-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclopentane-1-carboxamide
CID 100775150
trans-(1S,3R)-1-methoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100757495
1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide
CID 100770449
1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100756429
methyl 5-[[(1R,3R)-1-methoxy-3-methylcyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate
CID 100756839
cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100757213
cis-(1R,3R)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100757206
cis-(1S,3S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707365
trans-(1R,3S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707373
cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100768346

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide (CID 100775596) is trans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide is CO[C@@]1(C(=O)Nc2ccc(OC(C)C)c3ncccc23)CCC[C@@H](C)C1.
What is the InChIKey of trans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide?
The InChIKey is JWESGXHDTUTCCA-VFNWGFHPSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14(2)26-18-10-9-17(16-8-6-12-22-19(16)18)23-20(24)21(25-4)11-5-7-15(3)13-21/h6,8-10,12,14-15H,5,7,11,13H2,1-4H3,(H,23,24)/t15-,21+/m1/s1.
What are the key properties of trans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide?
trans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100775596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).