N-[4-[4-(1-methoxy-2-methylpropan-2-yl)phenoxy]-3,5-dimethylphenyl]butanamide

C23H31NO3 — CID 139938192

IUPACN-[4-[4-(1-methoxy-2-methylpropan-2-yl)phenoxy]-3,5-dimethylphenyl]butanamide
SMILESCCCC(=O)Nc1cc(C)c(Oc2ccc(C(C)(C)COC)cc2)c(C)c1
InChIInChI=1S/C23H31NO3/c1-7-8-21(25)24-19-13-16(2)22(17(3)14-19)27-20-11-9-18(10-12-20)23(4,5)15-26-6/h9-14H,7-8,15H2,1-6H3,(H,24,25)
InChIKeyAAVQEVHMFIZTLR-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.76
Rot. Bonds8

About N-[4-[4-(1-methoxy-2-methylpropan-2-yl)phenoxy]-3,5-dimethylphenyl]butanamide

N-[4-[4-(1-methoxy-2-methylpropan-2-yl)phenoxy]-3,5-dimethylphenyl]butanamide (PubChem CID 139938192) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[4-[4-(1-methoxy-2-methylpropan-2-yl)phenoxy]-3,5-dimethylphenyl]butanamide.

Molecular Properties

Compound NameN-[4-[4-(1-methoxy-2-methylpropan-2-yl)phenoxy]-3,5-dimethylphenyl]butanamide
PubChem CID139938192
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC NameN-[4-[4-(1-methoxy-2-methylpropan-2-yl)phenoxy]-3,5-dimethylphenyl]butanamide
SMILESCCCC(=O)Nc1cc(C)c(Oc2ccc(C(C)(C)COC)cc2)c(C)c1
InChIInChI=1S/C23H31NO3/c1-7-8-21(25)24-19-13-16(2)22(17(3)14-19)27-20-11-9-18(10-12-20)23(4,5)15-26-6/h9-14H,7-8,15H2,1-6H3,(H,24,25)
InChIKeyAAVQEVHMFIZTLR-UHFFFAOYSA-N
XLogP5.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dimethylphenyl]butanamide;methane
CID 142030854
5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid
CID 115163818
N-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide
CID 91042264
methyl 3-(4-methoxy-3,5-dimethylanilino)-3-oxopropanoate
CID 115174171
4-[4-[2-[4-(4-carboxyphenoxy)-3,5-dimethylphenyl]butan-2-yl]-2,6-dimethylphenoxy]benzoic acid
CID 23140757
N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide
CID 17202560
4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 110356184
methyl 3-[4-[4-hydroxy-3-(4-methylphenyl)phenoxy]-3,5-dimethylanilino]-3-oxopropanoate
CID 69260442
N-[3-methyl-4-(methylamino)phenyl]butanamide
CID 175204219
2-[4-(4-fluorophenoxy)-3,5-dimethylanilino]-2-oxoacetic acid
CID 18614062
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-methoxy-2-methylpropan-2-yl)phenoxy]-3,5-dimethylphenyl]butanamide?
The IUPAC name of N-[4-[4-(1-methoxy-2-methylpropan-2-yl)phenoxy]-3,5-dimethylphenyl]butanamide (CID 139938192) is N-[4-[4-(1-methoxy-2-methylpropan-2-yl)phenoxy]-3,5-dimethylphenyl]butanamide.
What is the SMILES notation for N-[4-[4-(1-methoxy-2-methylpropan-2-yl)phenoxy]-3,5-dimethylphenyl]butanamide?
The canonical SMILES for N-[4-[4-(1-methoxy-2-methylpropan-2-yl)phenoxy]-3,5-dimethylphenyl]butanamide is CCCC(=O)Nc1cc(C)c(Oc2ccc(C(C)(C)COC)cc2)c(C)c1.
What is the InChIKey of N-[4-[4-(1-methoxy-2-methylpropan-2-yl)phenoxy]-3,5-dimethylphenyl]butanamide?
The InChIKey is AAVQEVHMFIZTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-7-8-21(25)24-19-13-16(2)22(17(3)14-19)27-20-11-9-18(10-12-20)23(4,5)15-26-6/h9-14H,7-8,15H2,1-6H3,(H,24,25).
What are the key properties of N-[4-[4-(1-methoxy-2-methylpropan-2-yl)phenoxy]-3,5-dimethylphenyl]butanamide?
N-[4-[4-(1-methoxy-2-methylpropan-2-yl)phenoxy]-3,5-dimethylphenyl]butanamide has a molecular weight of 369.51 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-methoxy-2-methylpropan-2-yl)phenoxy]-3,5-dimethylphenyl]butanamide is sourced from PubChem (CID 139938192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).