N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide

C27H31NO3 — CID 17097350

IUPACN-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(OCCC(C)C)c1
InChIInChI=1S/C27H31NO3/c1-4-26(31-24-15-13-22(14-16-24)21-9-6-5-7-10-21)27(29)28-23-11-8-12-25(19-23)30-18-17-20(2)3/h5-16,19-20,26H,4,17-18H2,1-3H3,(H,28,29)
InChIKeyARVITQIGWLGUOA-UHFFFAOYSA-N
MW417.55 g/mol
LogP6.57
Rot. Bonds10

About N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide

N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide (PubChem CID 17097350) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide.

Molecular Properties

Compound NameN-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide
PubChem CID17097350
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC NameN-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(OCCC(C)C)c1
InChIInChI=1S/C27H31NO3/c1-4-26(31-24-15-13-22(14-16-24)21-9-6-5-7-10-21)27(29)28-23-11-8-12-25(19-23)30-18-17-20(2)3/h5-16,19-20,26H,4,17-18H2,1-3H3,(H,28,29)
InChIKeyARVITQIGWLGUOA-UHFFFAOYSA-N
XLogP6.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17096805
N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide
CID 4949910
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17123582
(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
CID 41228638
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073434
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
[3-(2-phenoxybutanoylamino)phenyl] acetate
CID 17341786
2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 112501859
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
N-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide
CID 4949864

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide?
The IUPAC name of N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide (CID 17097350) is N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide.
What is the SMILES notation for N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide?
The canonical SMILES for N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide is CCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(OCCC(C)C)c1.
What is the InChIKey of N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide?
The InChIKey is ARVITQIGWLGUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO3/c1-4-26(31-24-15-13-22(14-16-24)21-9-6-5-7-10-21)27(29)28-23-11-8-12-25(19-23)30-18-17-20(2)3/h5-16,19-20,26H,4,17-18H2,1-3H3,(H,28,29).
What are the key properties of N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide?
N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide has a molecular weight of 417.55 g/mol, XLogP of 6.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide is sourced from PubChem (CID 17097350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).