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

C24H22N2O3 — CID 9367319

IUPACN-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESC[C@H](NC(=O)CNC(=O)Cc1cccc2ccccc12)c1cc2ccccc2o1
InChIInChI=1S/C24H22N2O3/c1-16(22-13-19-8-3-5-12-21(19)29-22)26-24(28)15-25-23(27)14-18-10-6-9-17-7-2-4-11-20(17)18/h2-13,16H,14-15H2,1H3,(H,25,27)(H,26,28)/t16-/m0/s1
InChIKeyCMHVTAJNKGQGEX-INIZCTEOSA-N
MW386.45 g/mol
LogP4.12
Rot. Bonds6

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

N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 9367319) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID9367319
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESC[C@H](NC(=O)CNC(=O)Cc1cccc2ccccc12)c1cc2ccccc2o1
InChIInChI=1S/C24H22N2O3/c1-16(22-13-19-8-3-5-12-21(19)29-22)26-24(28)15-25-23(27)14-18-10-6-9-17-7-2-4-11-20(17)18/h2-13,16H,14-15H2,1H3,(H,25,27)(H,26,28)/t16-/m0/s1
InChIKeyCMHVTAJNKGQGEX-INIZCTEOSA-N
XLogP4.12
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide with MolForge

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Related Compounds

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 8695538
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46531576
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778
N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9164665
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17398961
2-naphthalen-1-yl-N-[2-oxo-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]acetamide
CID 25356977
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-nitrophenyl)acetamide
CID 41075665
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 26005805
N'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 41037019
N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51323962

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 9367319) is N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is C[C@H](NC(=O)CNC(=O)Cc1cccc2ccccc12)c1cc2ccccc2o1.
What is the InChIKey of N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is CMHVTAJNKGQGEX-INIZCTEOSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16(22-13-19-8-3-5-12-21(19)29-22)26-24(28)15-25-23(27)14-18-10-6-9-17-7-2-4-11-20(17)18/h2-13,16H,14-15H2,1H3,(H,25,27)(H,26,28)/t16-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 386.45 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 9367319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).