N-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide

C20H25NO2 — CID 3532483

IUPACN-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide
SMILESO=C(CC(Cc1ccccc1)c1ccco1)NC1CCCCC1
InChIInChI=1S/C20H25NO2/c22-20(21-18-10-5-2-6-11-18)15-17(19-12-7-13-23-19)14-16-8-3-1-4-9-16/h1,3-4,7-9,12-13,17-18H,2,5-6,10-11,14-15H2,(H,21,22)
InChIKeyWHIGIKAAMNRNEB-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.44
Rot. Bonds6

About N-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide

N-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide (PubChem CID 3532483) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide
PubChem CID3532483
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide
SMILESO=C(CC(Cc1ccccc1)c1ccco1)NC1CCCCC1
InChIInChI=1S/C20H25NO2/c22-20(21-18-10-5-2-6-11-18)15-17(19-12-7-13-23-19)14-16-8-3-1-4-9-16/h1,3-4,7-9,12-13,17-18H,2,5-6,10-11,14-15H2,(H,21,22)
InChIKeyWHIGIKAAMNRNEB-UHFFFAOYSA-N
XLogP4.44
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide?
The IUPAC name of N-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide (CID 3532483) is N-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide.
What is the SMILES notation for N-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide?
The canonical SMILES for N-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide is O=C(CC(Cc1ccccc1)c1ccco1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide?
The InChIKey is WHIGIKAAMNRNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c22-20(21-18-10-5-2-6-11-18)15-17(19-12-7-13-23-19)14-16-8-3-1-4-9-16/h1,3-4,7-9,12-13,17-18H,2,5-6,10-11,14-15H2,(H,21,22).
What are the key properties of N-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide?
N-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide has a molecular weight of 311.43 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 3532483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).