N-[4-(furan-2-yl)phenyl]-3-methylbutanamide

C15H17NO2 — CID 168525798

IUPACN-[4-(furan-2-yl)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2ccco2)cc1
InChIInChI=1S/C15H17NO2/c1-11(2)10-15(17)16-13-7-5-12(6-8-13)14-4-3-9-18-14/h3-9,11H,10H2,1-2H3,(H,16,17)
InChIKeyMZWVATAXHAPZTG-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.93
Rot. Bonds4

About N-[4-(furan-2-yl)phenyl]-3-methylbutanamide

N-[4-(furan-2-yl)phenyl]-3-methylbutanamide (PubChem CID 168525798) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[4-(furan-2-yl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)phenyl]-3-methylbutanamide
PubChem CID168525798
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-[4-(furan-2-yl)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2ccco2)cc1
InChIInChI=1S/C15H17NO2/c1-11(2)10-15(17)16-13-7-5-12(6-8-13)14-4-3-9-18-14/h3-9,11H,10H2,1-2H3,(H,16,17)
InChIKeyMZWVATAXHAPZTG-UHFFFAOYSA-N
XLogP3.93
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
methyl N-[4-(furan-2-yl)phenyl]carbamate
CID 168528272
3-methyl-N-[4-[5-[4-(3-methylbutanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]butanamide
CID 132809718
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351
2,2,2-trifluoro-N-[4-(furan-2-yl)phenyl]acetamide
CID 168525338
3-amino-N-(4-phenylphenyl)butanamide
CID 60835996
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide
CID 110726327
N-[4-[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]-3-methylbutanamide
CID 2464780
3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
CID 110720173

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-(furan-2-yl)phenyl]-3-methylbutanamide (CID 168525798) is N-[4-(furan-2-yl)phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-(furan-2-yl)phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-(furan-2-yl)phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(-c2ccco2)cc1.
What is the InChIKey of N-[4-(furan-2-yl)phenyl]-3-methylbutanamide?
The InChIKey is MZWVATAXHAPZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(2)10-15(17)16-13-7-5-12(6-8-13)14-4-3-9-18-14/h3-9,11H,10H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(furan-2-yl)phenyl]-3-methylbutanamide?
N-[4-(furan-2-yl)phenyl]-3-methylbutanamide has a molecular weight of 243.31 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 168525798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).