2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide

C21H21N3O3 — CID 52511313

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N[C@H](CCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N3O3/c25-19-13-14-24(21(27)23-19)15-20(26)22-18(17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10,13-14,18H,11-12,15H2,(H,22,26)(H,23,25,27)/t18-/m1/s1
InChIKeyOOBYMGPYYBQPIA-GOSISDBHSA-N
MW363.42 g/mol
LogP2.03
Rot. Bonds7

About 2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide (PubChem CID 52511313) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide
PubChem CID52511313
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N[C@H](CCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N3O3/c25-19-13-14-24(21(27)23-19)15-20(26)22-18(17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10,13-14,18H,11-12,15H2,(H,22,26)(H,23,25,27)/t18-/m1/s1
InChIKeyOOBYMGPYYBQPIA-GOSISDBHSA-N
XLogP2.03
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 134050105
N-[(1S)-1,3-diphenylpropyl]propanamide
CID 138984444
2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
CID 42927482
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 136586428
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632771
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170165
N-(1,3-diphenylpropyl)-2-(2-methoxyethylamino)acetamide
CID 119737630
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63642049
2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 31353018
(2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid
CID 107834517
2-(cyclopropylmethoxy)-N-[(1R)-1,3-diphenylpropyl]acetamide
CID 95573632

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide (CID 52511313) is 2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide is O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](CCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide?
The InChIKey is OOBYMGPYYBQPIA-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-19-13-14-24(21(27)23-19)15-20(26)22-18(17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10,13-14,18H,11-12,15H2,(H,22,26)(H,23,25,27)/t18-/m1/s1.
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide is sourced from PubChem (CID 52511313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).