N-[4-(furan-2-yl)butan-2-yl]-2-(4-methylphenoxy)propanamide

C18H23NO3 — CID 24641914

IUPACN-[4-(furan-2-yl)butan-2-yl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NC(C)CCc2ccco2)cc1
InChIInChI=1S/C18H23NO3/c1-13-6-9-17(10-7-13)22-15(3)18(20)19-14(2)8-11-16-5-4-12-21-16/h4-7,9-10,12,14-15H,8,11H2,1-3H3,(H,19,20)
InChIKeyXVPTXEQCCBRBDF-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.49
Rot. Bonds7

About N-[4-(furan-2-yl)butan-2-yl]-2-(4-methylphenoxy)propanamide

N-[4-(furan-2-yl)butan-2-yl]-2-(4-methylphenoxy)propanamide (PubChem CID 24641914) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-2-(4-methylphenoxy)propanamide
PubChem CID24641914
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NC(C)CCc2ccco2)cc1
InChIInChI=1S/C18H23NO3/c1-13-6-9-17(10-7-13)22-15(3)18(20)19-14(2)8-11-16-5-4-12-21-16/h4-7,9-10,12,14-15H,8,11H2,1-3H3,(H,19,20)
InChIKeyXVPTXEQCCBRBDF-UHFFFAOYSA-N
XLogP3.49
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 43419032
N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide
CID 80543903
(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 807864
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
4-(furan-2-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349155
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349893
2-(2,6-dimethylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 18162432

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-(4-methylphenoxy)propanamide (CID 24641914) is N-[4-(furan-2-yl)butan-2-yl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)NC(C)CCc2ccco2)cc1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-2-(4-methylphenoxy)propanamide?
The InChIKey is XVPTXEQCCBRBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13-6-9-17(10-7-13)22-15(3)18(20)19-14(2)8-11-16-5-4-12-21-16/h4-7,9-10,12,14-15H,8,11H2,1-3H3,(H,19,20).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-2-(4-methylphenoxy)propanamide?
N-[4-(furan-2-yl)butan-2-yl]-2-(4-methylphenoxy)propanamide has a molecular weight of 301.39 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 24641914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).