N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide

C23H30N2O4 — CID 100773165

IUPACN-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c(C)n1
InChIInChI=1S/C23H30N2O4/c1-4-5-14-29-21-11-10-20(17(2)24-21)25-22(26)23(12-15-28-16-13-23)18-6-8-19(27-3)9-7-18/h6-11H,4-5,12-16H2,1-3H3,(H,25,26)
InChIKeyKNPVEAKVTPAPKM-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.26
Rot. Bonds8

About N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide

N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide (PubChem CID 100773165) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
PubChem CID100773165
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c(C)n1
InChIInChI=1S/C23H30N2O4/c1-4-5-14-29-21-11-10-20(17(2)24-21)25-22(26)23(12-15-28-16-13-23)18-6-8-19(27-3)9-7-18/h6-11H,4-5,12-16H2,1-3H3,(H,25,26)
InChIKeyKNPVEAKVTPAPKM-UHFFFAOYSA-N
XLogP4.26
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.26
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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Related Compounds

N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100772730
4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide
CID 99620718
N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100686987
N-(4-butoxy-2-cyanophenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100750267
4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
CID 100686962
N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide
CID 100775270
N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100750314
N-(6-methoxy-2-methyl-3-pyridinyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100770896
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241
1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100776904
N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100744352
1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100776979

Frequently Asked Questions

What is the IUPAC name of N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide?
The IUPAC name of N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide (CID 100773165) is N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide is CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c(C)n1.
What is the InChIKey of N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide?
The InChIKey is KNPVEAKVTPAPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-4-5-14-29-21-11-10-20(17(2)24-21)25-22(26)23(12-15-28-16-13-23)18-6-8-19(27-3)9-7-18/h6-11H,4-5,12-16H2,1-3H3,(H,25,26).
What are the key properties of N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide?
N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide has a molecular weight of 398.50 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 100773165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).