N-benzyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide

C17H20N4O5 — CID 4523503

IUPACN-benzyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide
SMILESCc1cn(CC(=O)NC(CO)C(=O)NCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H20N4O5/c1-11-8-21(17(26)20-15(11)24)9-14(23)19-13(10-22)16(25)18-7-12-5-3-2-4-6-12/h2-6,8,13,22H,7,9-10H2,1H3,(H,18,25)(H,19,23)(H,20,24,26)
InChIKeySNJUENKMYJLPHI-UHFFFAOYSA-N
MW360.37 g/mol
LogP-1.36
Rot. Bonds7

About N-benzyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide

N-benzyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide (PubChem CID 4523503) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-benzyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide
PubChem CID4523503
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC NameN-benzyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide
SMILESCc1cn(CC(=O)NC(CO)C(=O)NCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H20N4O5/c1-11-8-21(17(26)20-15(11)24)9-14(23)19-13(10-22)16(25)18-7-12-5-3-2-4-6-12/h2-6,8,13,22H,7,9-10H2,1H3,(H,18,25)(H,19,23)(H,20,24,26)
InChIKeySNJUENKMYJLPHI-UHFFFAOYSA-N
XLogP-1.36
TPSA133.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 90182093
N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 102461846
(2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide
CID 161490663
[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 77465110
2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-phenyl-N-[(3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 71109313
ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 53344986
(2R)-6-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 100941832
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 77082434
(2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724767
(2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide
CID 6667382
phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 23940970
3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide
CID 4990311

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide?
The IUPAC name of N-benzyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide (CID 4523503) is N-benzyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-benzyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide?
The canonical SMILES for N-benzyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide is Cc1cn(CC(=O)NC(CO)C(=O)NCc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-benzyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide?
The InChIKey is SNJUENKMYJLPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-11-8-21(17(26)20-15(11)24)9-14(23)19-13(10-22)16(25)18-7-12-5-3-2-4-6-12/h2-6,8,13,22H,7,9-10H2,1H3,(H,18,25)(H,19,23)(H,20,24,26).
What are the key properties of N-benzyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide?
N-benzyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide has a molecular weight of 360.37 g/mol, XLogP of -1.36, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide is sourced from PubChem (CID 4523503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).