N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide

C21H27NO3 — CID 4949910

IUPACN-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccc(OCCC(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-4-20(25-19-8-6-5-7-9-19)21(23)22-17-10-12-18(13-11-17)24-15-14-16(2)3/h5-13,16,20H,4,14-15H2,1-3H3,(H,22,23)
InChIKeyDEKYORUVJJULDK-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.91
Rot. Bonds9

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

N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide (PubChem CID 4949910) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide.

Molecular Properties

Compound NameN-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide
PubChem CID4949910
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccc(OCCC(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-4-20(25-19-8-6-5-7-9-19)21(23)22-17-10-12-18(13-11-17)24-15-14-16(2)3/h5-13,16,20H,4,14-15H2,1-3H3,(H,22,23)
InChIKeyDEKYORUVJJULDK-UHFFFAOYSA-N
XLogP4.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
N-[4-(2-ethoxyethoxy)phenyl]-2-phenoxybutanamide
CID 17130611
N-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide
CID 4949864
N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17097350
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066992
2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
CID 2944488
N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073434
2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066984
(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
CID 1369955
2-(3-methylphenoxy)-N-(4-propoxyphenyl)butanamide
CID 4943144
2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659062
2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide
CID 3643695

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide?
The IUPAC name of N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide (CID 4949910) is N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide.
What is the SMILES notation for N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide?
The canonical SMILES for N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)Nc1ccc(OCCC(C)C)cc1.
What is the InChIKey of N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide?
The InChIKey is DEKYORUVJJULDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-20(25-19-8-6-5-7-9-19)21(23)22-17-10-12-18(13-11-17)24-15-14-16(2)3/h5-13,16,20H,4,14-15H2,1-3H3,(H,22,23).
What are the key properties of N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide?
N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide has a molecular weight of 341.45 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide is sourced from PubChem (CID 4949910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).