N-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]propanamide

C20H27NO2 — CID 3798987

IUPACN-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]propanamide
SMILESCCC(=O)N(CCC(c1ccco1)C(C)C)Cc1ccccc1
InChIInChI=1S/C20H27NO2/c1-4-20(22)21(15-17-9-6-5-7-10-17)13-12-18(16(2)3)19-11-8-14-23-19/h5-11,14,16,18H,4,12-13,15H2,1-3H3
InChIKeyMEATWQOIPITWMF-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.85
Rot. Bonds8

About N-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]propanamide

N-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]propanamide (PubChem CID 3798987) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]propanamide
PubChem CID3798987
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]propanamide
SMILESCCC(=O)N(CCC(c1ccco1)C(C)C)Cc1ccccc1
InChIInChI=1S/C20H27NO2/c1-4-20(22)21(15-17-9-6-5-7-10-17)13-12-18(16(2)3)19-11-8-14-23-19/h5-11,14,16,18H,4,12-13,15H2,1-3H3
InChIKeyMEATWQOIPITWMF-UHFFFAOYSA-N
XLogP4.85
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]propanamide?
The IUPAC name of N-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]propanamide (CID 3798987) is N-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]propanamide.
What is the SMILES notation for N-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]propanamide?
The canonical SMILES for N-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]propanamide is CCC(=O)N(CCC(c1ccco1)C(C)C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]propanamide?
The InChIKey is MEATWQOIPITWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-4-20(22)21(15-17-9-6-5-7-10-17)13-12-18(16(2)3)19-11-8-14-23-19/h5-11,14,16,18H,4,12-13,15H2,1-3H3.
What are the key properties of N-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]propanamide?
N-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]propanamide has a molecular weight of 313.44 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]propanamide is sourced from PubChem (CID 3798987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).