2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide

C22H29NO3 — CID 9319776

IUPAC2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
SMILESCCCCOc1ccc(NC(=O)COc2ccc([C@H](C)CC)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-4-6-15-25-20-13-9-19(10-14-20)23-22(24)16-26-21-11-7-18(8-12-21)17(3)5-2/h7-14,17H,4-6,15-16H2,1-3H3,(H,23,24)/t17-/m1/s1
InChIKeyVJPCWDDSBILPOO-QGZVFWFLSA-N
MW355.48 g/mol
LogP5.40
Rot. Bonds10

About 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide

2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide (PubChem CID 9319776) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
PubChem CID9319776
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
SMILESCCCCOc1ccc(NC(=O)COc2ccc([C@H](C)CC)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-4-6-15-25-20-13-9-19(10-14-20)23-22(24)16-26-21-11-7-18(8-12-21)17(3)5-2/h7-14,17H,4-6,15-16H2,1-3H3,(H,23,24)/t17-/m1/s1
InChIKeyVJPCWDDSBILPOO-QGZVFWFLSA-N
XLogP5.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide
CID 4959333
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate
CID 4959303
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[4-(dimethylamino)phenyl]acetamide
CID 918515
N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 78904121
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671033
2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 4939634
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 22776102

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide (CID 9319776) is 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide is CCCCOc1ccc(NC(=O)COc2ccc([C@H](C)CC)cc2)cc1.
What is the InChIKey of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide?
The InChIKey is VJPCWDDSBILPOO-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29NO3/c1-4-6-15-25-20-13-9-19(10-14-20)23-22(24)16-26-21-11-7-18(8-12-21)17(3)5-2/h7-14,17H,4-6,15-16H2,1-3H3,(H,23,24)/t17-/m1/s1.
What are the key properties of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide?
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide has a molecular weight of 355.48 g/mol, XLogP of 5.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide is sourced from PubChem (CID 9319776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).