N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide

C22H29NO3 — CID 4949733

IUPACN-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)CCOc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-16(2)13-14-25-20-11-7-19(8-12-20)23-22(24)15-26-21-9-5-18(6-10-21)17(3)4/h5-12,16-17H,13-15H2,1-4H3,(H,23,24)
InChIKeyCJAZCCJLQQSDEO-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.25
Rot. Bonds9

About N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 4949733) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID4949733
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)CCOc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-16(2)13-14-25-20-11-7-19(8-12-20)23-22(24)15-26-21-9-5-18(6-10-21)17(3)4/h5-12,16-17H,13-15H2,1-4H3,(H,23,24)
InChIKeyCJAZCCJLQQSDEO-UHFFFAOYSA-N
XLogP5.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949852
2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202439
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949731
N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26157459
methyl 3-[4-(3-methylbutoxy)anilino]-3-oxopropanoate
CID 28638022
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450
2-(3,5-dimethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7707185
2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54795816
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
CID 4732908

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 4949733) is N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)CCOc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is CJAZCCJLQQSDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-16(2)13-14-25-20-11-7-19(8-12-20)23-22(24)15-26-21-9-5-18(6-10-21)17(3)4/h5-12,16-17H,13-15H2,1-4H3,(H,23,24).
What are the key properties of N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 355.48 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 4949733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).