(3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide

C22H24N4O3 — CID 8025303

IUPAC(3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide
SMILESC[C@H](CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C22H24N4O3/c1-15(17-11-7-4-8-12-17)13-18(27)25(2)19-20(23)26(22(29)24-21(19)28)14-16-9-5-3-6-10-16/h3-12,15H,13-14,23H2,1-2H3,(H,24,28,29)/t15-/m1/s1
InChIKeyQNJAZQNVRXYORG-OAHLLOKOSA-N
MW392.46 g/mol
LogP2.32
Rot. Bonds6

About (3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide

(3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide (PubChem CID 8025303) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide
PubChem CID8025303
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide
SMILESC[C@H](CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C22H24N4O3/c1-15(17-11-7-4-8-12-17)13-18(27)25(2)19-20(23)26(22(29)24-21(19)28)14-16-9-5-3-6-10-16/h3-12,15H,13-14,23H2,1-2H3,(H,24,28,29)/t15-/m1/s1
InChIKeyQNJAZQNVRXYORG-OAHLLOKOSA-N
XLogP2.32
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylbutanamide
CID 24686728
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methyl-[(1S)-1-phenylethyl]azanium
CID 8635442
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropanamide
CID 55433576
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 46595309
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide
CID 55336893
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(2-methylprop-2-enyl)amino]acetamide
CID 8635399
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenoxy)-N-methylacetamide
CID 8801057
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2,2-diphenylacetamide
CID 4816328
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-chlorophenyl)methyl-methylamino]-N-methylacetamide
CID 4848050
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-N-methylbenzamide
CID 7998139
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(3-methylbutyl)pentanamide
CID 9101793

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide?
The IUPAC name of (3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide (CID 8025303) is (3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide?
The canonical SMILES for (3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide is C[C@H](CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)c1ccccc1.
What is the InChIKey of (3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide?
The InChIKey is QNJAZQNVRXYORG-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15(17-11-7-4-8-12-17)13-18(27)25(2)19-20(23)26(22(29)24-21(19)28)14-16-9-5-3-6-10-16/h3-12,15H,13-14,23H2,1-2H3,(H,24,28,29)/t15-/m1/s1.
What are the key properties of (3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide?
(3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide has a molecular weight of 392.46 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide is sourced from PubChem (CID 8025303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).