2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide

C22H29NO3 — CID 4939634

IUPAC2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
SMILESCCCCOc1ccc(NC(=O)COc2ccccc2C(C)CC)cc1
InChIInChI=1S/C22H29NO3/c1-4-6-15-25-19-13-11-18(12-14-19)23-22(24)16-26-21-10-8-7-9-20(21)17(3)5-2/h7-14,17H,4-6,15-16H2,1-3H3,(H,23,24)
InChIKeyLXCFDTCLVOSQFS-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.40
Rot. Bonds10

About 2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide

2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide (PubChem CID 4939634) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
PubChem CID4939634
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
SMILESCCCCOc1ccc(NC(=O)COc2ccccc2C(C)CC)cc1
InChIInChI=1S/C22H29NO3/c1-4-6-15-25-19-13-11-18(12-14-19)23-22(24)16-26-21-10-8-7-9-20(21)17(3)5-2/h7-14,17H,4-6,15-16H2,1-3H3,(H,23,24)
InChIKeyLXCFDTCLVOSQFS-UHFFFAOYSA-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-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 922510
2-(2-butan-2-ylphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340192
2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide
CID 4952443
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
N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide
CID 8714581
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17218695
N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
CID 8757275
N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
CID 8757276
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154653

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide (CID 4939634) is 2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide is CCCCOc1ccc(NC(=O)COc2ccccc2C(C)CC)cc1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide?
The InChIKey is LXCFDTCLVOSQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-4-6-15-25-19-13-11-18(12-14-19)23-22(24)16-26-21-10-8-7-9-20(21)17(3)5-2/h7-14,17H,4-6,15-16H2,1-3H3,(H,23,24).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide?
2-(2-butan-2-ylphenoxy)-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-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide is sourced from PubChem (CID 4939634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).