trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide

C18H28N2O3 — CID 100778455

IUPACtrans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
SMILESCCCO[C@]1(C(=O)Nc2ccc(OCC)nc2)CCC[C@H](C)C1
InChIInChI=1S/C18H28N2O3/c1-4-11-23-18(10-6-7-14(3)12-18)17(21)20-15-8-9-16(19-13-15)22-5-2/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,20,21)/t14-,18+/m0/s1
InChIKeyAWNQYZPLPCTWMU-KBXCAEBGSA-N
MW320.43 g/mol
LogP3.79
Rot. Bonds7

About trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide

trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide (PubChem CID 100778455) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
PubChem CID100778455
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametrans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
SMILESCCCO[C@]1(C(=O)Nc2ccc(OCC)nc2)CCC[C@H](C)C1
InChIInChI=1S/C18H28N2O3/c1-4-11-23-18(10-6-7-14(3)12-18)17(21)20-15-8-9-16(19-13-15)22-5-2/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,20,21)/t14-,18+/m0/s1
InChIKeyAWNQYZPLPCTWMU-KBXCAEBGSA-N
XLogP3.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-ethoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205965
trans-(1S,3R)-N-(6-butoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100778472
cis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100778483
cis-(1S,3S)-1-ethoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylcyclohexane-1-carboxamide
CID 100777116
trans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
CID 100777074
N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205967
cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100714327
cis-(1S,3S)-1-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylcyclohexane-1-carboxamide
CID 100775383
cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100716342
ethyl 5-[[(1S,3S)-3-methyl-1-propoxycyclohexanecarbonyl]amino]-2-propoxybenzoate
CID 100767818
cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 100731776
trans-(1R,3S)-3-methyl-N-(4-phenylmethoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100714548

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide (CID 100778455) is trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide is CCCO[C@]1(C(=O)Nc2ccc(OCC)nc2)CCC[C@H](C)C1.
What is the InChIKey of trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
The InChIKey is AWNQYZPLPCTWMU-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-11-23-18(10-6-7-14(3)12-18)17(21)20-15-8-9-16(19-13-15)22-5-2/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,20,21)/t14-,18+/m0/s1.
What are the key properties of trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 100778455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).