N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide

C24H31NO3 — CID 100723506

IUPACN-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide
SMILESCOc1ccc([C@@H](CC(C)C)NC(=O)C2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C24H31NO3/c1-18(2)17-22(19-9-11-21(27-3)12-10-19)25-23(26)24(13-15-28-16-14-24)20-7-5-4-6-8-20/h4-12,18,22H,13-17H2,1-3H3,(H,25,26)/t22-/m1/s1
InChIKeyQDYXWKBKHBKHNF-JOCHJYFZSA-N
MW381.52 g/mol
LogP4.65
Rot. Bonds7

About N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide

N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide (PubChem CID 100723506) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide
PubChem CID100723506
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide
SMILESCOc1ccc([C@@H](CC(C)C)NC(=O)C2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C24H31NO3/c1-18(2)17-22(19-9-11-21(27-3)12-10-19)25-23(26)24(13-15-28-16-14-24)20-7-5-4-6-8-20/h4-12,18,22H,13-17H2,1-3H3,(H,25,26)/t22-/m1/s1
InChIKeyQDYXWKBKHBKHNF-JOCHJYFZSA-N
XLogP4.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-N-[(1S)-3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]oxane-4-carboxamide
CID 91637801
4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 4250680
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide
CID 100636290
N-[(1S)-3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-4-phenyloxane-4-carboxamide
CID 91640712
N-[1-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 110437540
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 92612308
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 46979727
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 100771023
N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 133202792
4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 46977488
N-benzhydryl-4-phenyloxane-4-carboxamide
CID 27456066

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide (CID 100723506) is N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide is COc1ccc([C@@H](CC(C)C)NC(=O)C2(c3ccccc3)CCOCC2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide?
The InChIKey is QDYXWKBKHBKHNF-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H31NO3/c1-18(2)17-22(19-9-11-21(27-3)12-10-19)25-23(26)24(13-15-28-16-14-24)20-7-5-4-6-8-20/h4-12,18,22H,13-17H2,1-3H3,(H,25,26)/t22-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide?
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 100723506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).