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

C21H34N2O3 — CID 133205969

IUPACN-(6-butoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(OCCC)CCCC(C)C2)c(C)n1
InChIInChI=1S/C21H34N2O3/c1-5-7-14-25-19-11-10-18(17(4)22-19)23-20(24)21(26-13-6-2)12-8-9-16(3)15-21/h10-11,16H,5-9,12-15H2,1-4H3,(H,23,24)
InChIKeyLSQUSCQMTOMRHN-UHFFFAOYSA-N
MW362.51 g/mol
LogP4.88
Rot. Bonds9

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

N-(6-butoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide (PubChem CID 133205969) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is N-(6-butoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-butoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
PubChem CID133205969
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC NameN-(6-butoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(OCCC)CCCC(C)C2)c(C)n1
InChIInChI=1S/C21H34N2O3/c1-5-7-14-25-19-11-10-18(17(4)22-19)23-20(24)21(26-13-6-2)12-8-9-16(3)15-21/h10-11,16H,5-9,12-15H2,1-4H3,(H,23,24)
InChIKeyLSQUSCQMTOMRHN-UHFFFAOYSA-N
XLogP4.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205967
trans-(1S,3R)-N-(6-butoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100778472
N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205462
N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide
CID 100775270
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
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
trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100778455
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205965
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-butoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
The IUPAC name of N-(6-butoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide (CID 133205969) is N-(6-butoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-butoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
The canonical SMILES for N-(6-butoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide is CCCCOc1ccc(NC(=O)C2(OCCC)CCCC(C)C2)c(C)n1.
What is the InChIKey of N-(6-butoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
The InChIKey is LSQUSCQMTOMRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-5-7-14-25-19-11-10-18(17(4)22-19)23-20(24)21(26-13-6-2)12-8-9-16(3)15-21/h10-11,16H,5-9,12-15H2,1-4H3,(H,23,24).
What are the key properties of N-(6-butoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
N-(6-butoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide has a molecular weight of 362.51 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 133205969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).