cis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide

C19H30N2O4 — CID 100778483

IUPACcis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide
SMILESCCCO[C@]1(C(=O)Nc2ccc(OCCOC)nc2)CCC[C@@H](C)C1
InChIInChI=1S/C19H30N2O4/c1-4-10-25-19(9-5-6-15(2)13-19)18(22)21-16-7-8-17(20-14-16)24-12-11-23-3/h7-8,14-15H,4-6,9-13H2,1-3H3,(H,21,22)/t15-,19-/m1/s1
InChIKeyNSAFASCJLXQYQY-DNVCBOLYSA-N
MW350.46 g/mol
LogP3.42
Rot. Bonds9

About cis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide

cis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide (PubChem CID 100778483) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is cis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide
PubChem CID100778483
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Namecis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide
SMILESCCCO[C@]1(C(=O)Nc2ccc(OCCOC)nc2)CCC[C@@H](C)C1
InChIInChI=1S/C19H30N2O4/c1-4-10-25-19(9-5-6-15(2)13-19)18(22)21-16-7-8-17(20-14-16)24-12-11-23-3/h7-8,14-15H,4-6,9-13H2,1-3H3,(H,21,22)/t15-,19-/m1/s1
InChIKeyNSAFASCJLXQYQY-DNVCBOLYSA-N
XLogP3.42
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide (CID 100778483) is cis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide is CCCO[C@]1(C(=O)Nc2ccc(OCCOC)nc2)CCC[C@@H](C)C1.
What is the InChIKey of cis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide?
The InChIKey is NSAFASCJLXQYQY-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-4-10-25-19(9-5-6-15(2)13-19)18(22)21-16-7-8-17(20-14-16)24-12-11-23-3/h7-8,14-15H,4-6,9-13H2,1-3H3,(H,21,22)/t15-,19-/m1/s1.
What are the key properties of cis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide?
cis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 100778483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).