N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide

C23H29NO4 — CID 100686987

IUPACN-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1
InChIInChI=1S/C23H29NO4/c1-3-4-15-28-21-11-7-19(8-12-21)24-22(25)23(13-16-27-17-14-23)18-5-9-20(26-2)10-6-18/h5-12H,3-4,13-17H2,1-2H3,(H,24,25)
InChIKeyPALFNFCONDJDGR-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.56
Rot. Bonds8

About N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide

N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide (PubChem CID 100686987) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
PubChem CID100686987
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC NameN-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1
InChIInChI=1S/C23H29NO4/c1-3-4-15-28-21-11-7-19(8-12-21)24-22(25)23(13-16-27-17-14-23)18-5-9-20(26-2)10-6-18/h5-12H,3-4,13-17H2,1-2H3,(H,24,25)
InChIKeyPALFNFCONDJDGR-UHFFFAOYSA-N
XLogP4.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.56
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

4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
CID 100686962
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241
4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide
CID 100687083
N-(4-butoxy-2-cyanophenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100750267
4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide
CID 100685761
N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100773165
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 99082650
N-[4-(2-bromoethoxy)phenyl]-4-phenyloxane-4-carboxamide
CID 100679083
N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 1289148
2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100668327
N-(4-butoxy-3,5-dimethylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100683972

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide?
The IUPAC name of N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide (CID 100686987) is N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide is CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide?
The InChIKey is PALFNFCONDJDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-3-4-15-28-21-11-7-19(8-12-21)24-22(25)23(13-16-27-17-14-23)18-5-9-20(26-2)10-6-18/h5-12H,3-4,13-17H2,1-2H3,(H,24,25).
What are the key properties of N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide?
N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 100686987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).