2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide

C18H18N2O2 — CID 8918107

IUPAC2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide
SMILESC[C@H](NCC(=O)Nc1cccc2ccccc12)c1ccco1
InChIInChI=1S/C18H18N2O2/c1-13(17-10-5-11-22-17)19-12-18(21)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-11,13,19H,12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyYQYMVTGZPBFVNQ-ZDUSSCGKSA-N
MW294.35 g/mol
LogP3.72
Rot. Bonds5

About 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide

2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide (PubChem CID 8918107) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide
PubChem CID8918107
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide
SMILESC[C@H](NCC(=O)Nc1cccc2ccccc12)c1ccco1
InChIInChI=1S/C18H18N2O2/c1-13(17-10-5-11-22-17)19-12-18(21)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-11,13,19H,12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyYQYMVTGZPBFVNQ-ZDUSSCGKSA-N
XLogP3.72
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide (CID 8918107) is 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide is C[C@H](NCC(=O)Nc1cccc2ccccc12)c1ccco1.
What is the InChIKey of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide?
The InChIKey is YQYMVTGZPBFVNQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13(17-10-5-11-22-17)19-12-18(21)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-11,13,19H,12H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide?
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide has a molecular weight of 294.35 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 8918107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).