2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide

C22H29NO3 — CID 132653687

IUPAC2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide
SMILESCCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1OC
InChIInChI=1S/C22H29NO3/c1-6-19(26-18-13-11-17(12-14-18)22(2,3)4)21(24)23-15-16-9-7-8-10-20(16)25-5/h7-14,19H,6,15H2,1-5H3,(H,23,24)
InChIKeySBDBITBYBNZWGT-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.47
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide

2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide (PubChem CID 132653687) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide
PubChem CID132653687
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide
SMILESCCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1OC
InChIInChI=1S/C22H29NO3/c1-6-19(26-18-13-11-17(12-14-18)22(2,3)4)21(24)23-15-16-9-7-8-10-20(16)25-5/h7-14,19H,6,15H2,1-5H3,(H,23,24)
InChIKeySBDBITBYBNZWGT-UHFFFAOYSA-N
XLogP4.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 53286332
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8984965
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53286217
(2R)-N-[(2-chlorophenyl)methyl]-2-(2-methoxyphenoxy)butanamide
CID 42082365
2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 132652045
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide
CID 54785530
N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
CID 132652282
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 92676257
(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 99954339
(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 94015813
2-(4-tert-butylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 132661123

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide (CID 132653687) is 2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide is CCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1OC.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide?
The InChIKey is SBDBITBYBNZWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-6-19(26-18-13-11-17(12-14-18)22(2,3)4)21(24)23-15-16-9-7-8-10-20(16)25-5/h7-14,19H,6,15H2,1-5H3,(H,23,24).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide?
2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide has a molecular weight of 355.48 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 132653687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).