2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide

C21H27NO3 — CID 17154653

IUPAC2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C21H27NO3/c1-5-16(4)19-11-6-7-12-20(19)24-14-21(23)22-17-9-8-10-18(13-17)25-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)
InChIKeyPAVPWZRFJLNEFM-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.00
Rot. Bonds8

About 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide

2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide (PubChem CID 17154653) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
PubChem CID17154653
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C21H27NO3/c1-5-16(4)19-11-6-7-12-20(19)24-14-21(23)22-17-9-8-10-18(13-17)25-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)
InChIKeyPAVPWZRFJLNEFM-UHFFFAOYSA-N
XLogP5.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-butan-2-ylphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340192
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 922510
2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
CID 2950014
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833563
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833562
2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 4939634
N-(3-amino-4-chlorophenyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 46735825
2-(2-butan-2-ylphenoxy)-N-(3-morpholin-4-ylphenyl)acetamide
CID 55952307
2-(2-butan-2-ylphenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 55826048
2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide
CID 4952443
2-(4-phenylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154728
3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 55802015

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide (CID 17154653) is 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide is CCC(C)c1ccccc1OCC(=O)Nc1cccc(OC(C)C)c1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide?
The InChIKey is PAVPWZRFJLNEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-16(4)19-11-6-7-12-20(19)24-14-21(23)22-17-9-8-10-18(13-17)25-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide?
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide has a molecular weight of 341.45 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 17154653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).