N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide

C17H21NO3 — CID 90523706

IUPACN-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCCC(O)c1ccco1
InChIInChI=1S/C17H21NO3/c19-15(16-9-5-13-21-16)11-12-18-17(20)10-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,13,15,19H,4,8,10-12H2,(H,18,20)
InChIKeyRKGKCSPHUVQEFN-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.84
Rot. Bonds8

About N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide

N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide (PubChem CID 90523706) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide
PubChem CID90523706
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCCC(O)c1ccco1
InChIInChI=1S/C17H21NO3/c19-15(16-9-5-13-21-16)11-12-18-17(20)10-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,13,15,19H,4,8,10-12H2,(H,18,20)
InChIKeyRKGKCSPHUVQEFN-UHFFFAOYSA-N
XLogP2.84
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(furan-2-yl)-3-hydroxypropyl]benzamide
CID 90523674
5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide
CID 87016967
N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide
CID 90523818
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea
CID 71787781
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbenzamide
CID 71787703
N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
CID 95740998
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide
CID 111102313
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(3-phenylpropyl)acetamide
CID 8696124
2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide
CID 90523672
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenylbutanamide
CID 16905505
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide?
The IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide (CID 90523706) is N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide.
What is the SMILES notation for N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide?
The canonical SMILES for N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NCCC(O)c1ccco1.
What is the InChIKey of N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide?
The InChIKey is RKGKCSPHUVQEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-15(16-9-5-13-21-16)11-12-18-17(20)10-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,13,15,19H,4,8,10-12H2,(H,18,20).
What are the key properties of N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide?
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide has a molecular weight of 287.36 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide is sourced from PubChem (CID 90523706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).