N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide

C23H21N3O4 — CID 9369720

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide
SMILESC[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1cc2ccccc2o1
InChIInChI=1S/C23H21N3O4/c1-16(20-13-18-9-5-6-10-19(18)30-20)24-21(27)15-26-22(28)11-12-25(23(26)29)14-17-7-3-2-4-8-17/h2-13,16H,14-15H2,1H3,(H,24,27)/t16-/m0/s1
InChIKeyVCIHWONTVCFFFY-INIZCTEOSA-N
MW403.44 g/mol
LogP2.68
Rot. Bonds6

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide (PubChem CID 9369720) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide
PubChem CID9369720
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide
SMILESC[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1cc2ccccc2o1
InChIInChI=1S/C23H21N3O4/c1-16(20-13-18-9-5-6-10-19(18)30-20)24-21(27)15-26-22(28)11-12-25(23(26)29)14-17-7-3-2-4-8-17/h2-13,16H,14-15H2,1H3,(H,24,27)/t16-/m0/s1
InChIKeyVCIHWONTVCFFFY-INIZCTEOSA-N
XLogP2.68
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112795849
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 24609224
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 43033506
N-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 46637117
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25347204
(2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide
CID 9470737
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51883476
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 11930021
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8597854
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 41077979
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide
CID 112826982
3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide
CID 112827568

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide (CID 9369720) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide is C[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide?
The InChIKey is VCIHWONTVCFFFY-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-16(20-13-18-9-5-6-10-19(18)30-20)24-21(27)15-26-22(28)11-12-25(23(26)29)14-17-7-3-2-4-8-17/h2-13,16H,14-15H2,1H3,(H,24,27)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide has a molecular weight of 403.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 9369720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).