3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-[(1S)-1-phenylethyl]propanamide

C19H23N3O3 — CID 92680309

IUPAC3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)CCNc1c(N2CCCC2)c(=O)c1=O)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13(14-7-3-2-4-8-14)21-15(23)9-10-20-16-17(19(25)18(16)24)22-11-5-6-12-22/h2-4,7-8,13,20H,5-6,9-12H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyFZHDUELGJROWKB-ZDUSSCGKSA-N
MW341.41 g/mol
LogP1.56
Rot. Bonds7

About 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-[(1S)-1-phenylethyl]propanamide

3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 92680309) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-[(1S)-1-phenylethyl]propanamide
PubChem CID92680309
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)CCNc1c(N2CCCC2)c(=O)c1=O)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13(14-7-3-2-4-8-14)21-15(23)9-10-20-16-17(19(25)18(16)24)22-11-5-6-12-22/h2-4,7-8,13,20H,5-6,9-12H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyFZHDUELGJROWKB-ZDUSSCGKSA-N
XLogP1.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109020180
4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]-N-[(1R)-1-phenylethyl]benzamide
CID 98192826
3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(3-methoxyphenyl)propanamide
CID 46271641
N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide
CID 109020135
N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide
CID 124729607
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide
CID 40719548
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(1R)-1-phenylethyl]urea
CID 52810285
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide
CID 113177113
N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891599
N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24588722

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-[(1S)-1-phenylethyl]propanamide (CID 92680309) is 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-[(1S)-1-phenylethyl]propanamide is C[C@H](NC(=O)CCNc1c(N2CCCC2)c(=O)c1=O)c1ccccc1.
What is the InChIKey of 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is FZHDUELGJROWKB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(14-7-3-2-4-8-14)21-15(23)9-10-20-16-17(19(25)18(16)24)22-11-5-6-12-22/h2-4,7-8,13,20H,5-6,9-12H2,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-[(1S)-1-phenylethyl]propanamide?
3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 341.41 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 92680309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).