N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide

C22H25NO3 — CID 2929761

IUPACN-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide
SMILESCCC(=O)N(CCC(c1ccc(C)cc1)c1ccco1)Cc1ccco1
InChIInChI=1S/C22H25NO3/c1-3-22(24)23(16-19-6-4-14-25-19)13-12-20(21-7-5-15-26-21)18-10-8-17(2)9-11-18/h4-11,14-15,20H,3,12-13,16H2,1-2H3
InChIKeyRWTVLMQWYJEIDE-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.14
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide

N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide (PubChem CID 2929761) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide
PubChem CID2929761
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC NameN-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide
SMILESCCC(=O)N(CCC(c1ccc(C)cc1)c1ccco1)Cc1ccco1
InChIInChI=1S/C22H25NO3/c1-3-22(24)23(16-19-6-4-14-25-19)13-12-20(21-7-5-15-26-21)18-10-8-17(2)9-11-18/h4-11,14-15,20H,3,12-13,16H2,1-2H3
InChIKeyRWTVLMQWYJEIDE-UHFFFAOYSA-N
XLogP5.14
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide (CID 2929761) is N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide is CCC(=O)N(CCC(c1ccc(C)cc1)c1ccco1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide?
The InChIKey is RWTVLMQWYJEIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-3-22(24)23(16-19-6-4-14-25-19)13-12-20(21-7-5-15-26-21)18-10-8-17(2)9-11-18/h4-11,14-15,20H,3,12-13,16H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide?
N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide has a molecular weight of 351.45 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 2929761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).