(2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide

C18H22N4O4 — CID 9470737

IUPAC(2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C18H22N4O4/c1-3-19-17(25)13(2)20-15(23)12-22-16(24)9-10-21(18(22)26)11-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,19,25)(H,20,23)/t13-/m0/s1
InChIKeyXIKVAVYUFBIFDB-ZDUSSCGKSA-N
MW358.40 g/mol
LogP-0.30
Rot. Bonds7

About (2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide

(2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide (PubChem CID 9470737) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is (2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide
PubChem CID9470737
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name(2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C18H22N4O4/c1-3-19-17(25)13(2)20-15(23)12-22-16(24)9-10-21(18(22)26)11-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,19,25)(H,20,23)/t13-/m0/s1
InChIKeyXIKVAVYUFBIFDB-ZDUSSCGKSA-N
XLogP-0.30
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide with MolForge

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Related Compounds

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9137000
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
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 43033506
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112795849
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide
CID 9207698
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 29353373
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 9369720
2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide
CID 50755241
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 9138324
2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide
CID 50755172

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide?
The IUPAC name of (2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide (CID 9470737) is (2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for (2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide is CCNC(=O)[C@H](C)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O.
What is the InChIKey of (2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide?
The InChIKey is XIKVAVYUFBIFDB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-3-19-17(25)13(2)20-15(23)12-22-16(24)9-10-21(18(22)26)11-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,19,25)(H,20,23)/t13-/m0/s1.
What are the key properties of (2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide?
(2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide has a molecular weight of 358.40 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 9470737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).