2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide

C20H25NO3 — CID 133240098

IUPAC2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)NCC(C)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-4-19(24-18-12-8-11-17(13-18)23-3)20(22)21-14-15(2)16-9-6-5-7-10-16/h5-13,15,19H,4,14H2,1-3H3,(H,21,22)
InChIKeyQSHUHKJRGMDJFU-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.77
Rot. Bonds8

About 2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide

2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide (PubChem CID 133240098) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide
PubChem CID133240098
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)NCC(C)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-4-19(24-18-12-8-11-17(13-18)23-3)20(22)21-14-15(2)16-9-6-5-7-10-16/h5-13,15,19H,4,14H2,1-3H3,(H,21,22)
InChIKeyQSHUHKJRGMDJFU-UHFFFAOYSA-N
XLogP3.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 43909571
2-naphthalen-1-yloxy-N-(2-phenylpropyl)butanamide
CID 133240045
(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide
CID 92683293
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide
CID 83031492
(2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide
CID 92676242
(2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 94019358
2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
CID 133250034
(2R)-2-(3-methoxyphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569169
(2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
CID 92673239

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide (CID 133240098) is 2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide is CCC(Oc1cccc(OC)c1)C(=O)NCC(C)c1ccccc1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide?
The InChIKey is QSHUHKJRGMDJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-19(24-18-12-8-11-17(13-18)23-3)20(22)21-14-15(2)16-9-6-5-7-10-16/h5-13,15,19H,4,14H2,1-3H3,(H,21,22).
What are the key properties of 2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide?
2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide has a molecular weight of 327.42 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide is sourced from PubChem (CID 133240098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).