2-(4-tert-butylphenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide

C19H25NO3 — CID 121127052

IUPAC2-(4-tert-butylphenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide
SMILESCC(Cc1ccoc1)NC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25NO3/c1-14(11-15-9-10-22-12-15)20-18(21)13-23-17-7-5-16(6-8-17)19(2,3)4/h5-10,12,14H,11,13H2,1-4H3,(H,20,21)
InChIKeyNIAYIPZFHBKUFQ-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.70
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide

2-(4-tert-butylphenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide (PubChem CID 121127052) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide
PubChem CID121127052
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-(4-tert-butylphenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide
SMILESCC(Cc1ccoc1)NC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25NO3/c1-14(11-15-9-10-22-12-15)20-18(21)13-23-17-7-5-16(6-8-17)19(2,3)4/h5-10,12,14H,11,13H2,1-4H3,(H,20,21)
InChIKeyNIAYIPZFHBKUFQ-UHFFFAOYSA-N
XLogP3.70
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-3-yl)propan-2-yl]-2-phenoxyacetamide
CID 121126979
2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 53283030
2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
CID 16641722
N-[(2S)-1-(furan-3-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 97030226
N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide
CID 99873162
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-tert-butylphenoxy)acetamide
CID 8009528
N-(furan-3-ylmethyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 47034243
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 123862391
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide
CID 58640419
(2R)-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]propanoate
CID 9156981
1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 99873238

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide (CID 121127052) is 2-(4-tert-butylphenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide is CC(Cc1ccoc1)NC(=O)COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide?
The InChIKey is NIAYIPZFHBKUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-14(11-15-9-10-22-12-15)20-18(21)13-23-17-7-5-16(6-8-17)19(2,3)4/h5-10,12,14H,11,13H2,1-4H3,(H,20,21).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide?
2-(4-tert-butylphenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide has a molecular weight of 315.41 g/mol, XLogP of 3.70, 6 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-[1-(furan-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 121127052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).