N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide

C24H24N2O2 — CID 8695538

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)N[C@H](C)c1cc2ccccc2o1)c1cccc2ccccc12
InChIInChI=1S/C24H24N2O2/c1-16(20-12-7-10-18-8-3-5-11-21(18)20)25-15-24(27)26-17(2)23-14-19-9-4-6-13-22(19)28-23/h3-14,16-17,25H,15H2,1-2H3,(H,26,27)/t16-,17+/m0/s1
InChIKeyOETIKRZODVWAPV-DLBZAZTESA-N
MW372.47 g/mol
LogP5.11
Rot. Bonds6

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide (PubChem CID 8695538) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
PubChem CID8695538
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)N[C@H](C)c1cc2ccccc2o1)c1cccc2ccccc12
InChIInChI=1S/C24H24N2O2/c1-16(20-12-7-10-18-8-3-5-11-21(18)20)25-15-24(27)26-17(2)23-14-19-9-4-6-13-22(19)28-23/h3-14,16-17,25H,15H2,1-2H3,(H,26,27)/t16-,17+/m0/s1
InChIKeyOETIKRZODVWAPV-DLBZAZTESA-N
XLogP5.11
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide (CID 8695538) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide is C[C@H](NCC(=O)N[C@H](C)c1cc2ccccc2o1)c1cccc2ccccc12.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The InChIKey is OETIKRZODVWAPV-DLBZAZTESA-N. The full InChI is InChI=1S/C24H24N2O2/c1-16(20-12-7-10-18-8-3-5-11-21(18)20)25-15-24(27)26-17(2)23-14-19-9-4-6-13-22(19)28-23/h3-14,16-17,25H,15H2,1-2H3,(H,26,27)/t16-,17+/m0/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide has a molecular weight of 372.47 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide is sourced from PubChem (CID 8695538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).