N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide

C19H30N2O3 — CID 133205967

IUPACN-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OCC)nc2C)CCCC(C)C1
InChIInChI=1S/C19H30N2O3/c1-5-12-24-19(11-7-8-14(3)13-19)18(22)21-16-9-10-17(23-6-2)20-15(16)4/h9-10,14H,5-8,11-13H2,1-4H3,(H,21,22)
InChIKeyNTYMPYFEHXZTJD-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.10
Rot. Bonds7

About N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide

N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide (PubChem CID 133205967) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
PubChem CID133205967
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OCC)nc2C)CCCC(C)C1
InChIInChI=1S/C19H30N2O3/c1-5-12-24-19(11-7-8-14(3)13-19)18(22)21-16-9-10-17(23-6-2)20-15(16)4/h9-10,14H,5-8,11-13H2,1-4H3,(H,21,22)
InChIKeyNTYMPYFEHXZTJD-UHFFFAOYSA-N
XLogP4.10
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-butoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205969
trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100778455
1-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100777348
1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100776904
1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100776979
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205965
N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205462
trans-(1S,3R)-N-(6-butoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100778472
trans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100762900
cis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100778483
cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100714327
cis-(1R,3R)-N-(2-cyano-4-propoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100768083

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
The IUPAC name of N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide (CID 133205967) is N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
The canonical SMILES for N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide is CCCOC1(C(=O)Nc2ccc(OCC)nc2C)CCCC(C)C1.
What is the InChIKey of N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
The InChIKey is NTYMPYFEHXZTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-5-12-24-19(11-7-8-14(3)13-19)18(22)21-16-9-10-17(23-6-2)20-15(16)4/h9-10,14H,5-8,11-13H2,1-4H3,(H,21,22).
What are the key properties of N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 133205967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).