4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]-N-[(1R)-1-phenylethyl]benzamide

C24H25N3O3 — CID 98192826

IUPAC4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1)c1ccccc1
InChIInChI=1S/C24H25N3O3/c1-16(18-7-3-2-4-8-18)26-24(30)19-11-9-17(10-12-19)15-25-20-21(23(29)22(20)28)27-13-5-6-14-27/h2-4,7-12,16,25H,5-6,13-15H2,1H3,(H,26,30)/t16-/m1/s1
InChIKeyILMTWKXZAQBAMF-MRXNPFEDSA-N
MW403.48 g/mol
LogP2.99
Rot. Bonds7

About 4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]-N-[(1R)-1-phenylethyl]benzamide

4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 98192826) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID98192826
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1)c1ccccc1
InChIInChI=1S/C24H25N3O3/c1-16(18-7-3-2-4-8-18)26-24(30)19-11-9-17(10-12-19)15-25-20-21(23(29)22(20)28)27-13-5-6-14-27/h2-4,7-12,16,25H,5-6,13-15H2,1H3,(H,26,30)/t16-/m1/s1
InChIKeyILMTWKXZAQBAMF-MRXNPFEDSA-N
XLogP2.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.99
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

3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-[(1S)-1-phenylethyl]propanamide
CID 92680309
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CID 20888642
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide
CID 124772254
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CID 16891599
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CID 48732576
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CID 3240817
2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256389
4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(1-phenylethyl)benzamide
CID 53135564
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 28636051
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]-N-[(1R)-1-phenylethyl]benzamide (CID 98192826) is 4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1)c1ccccc1.
What is the InChIKey of 4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is ILMTWKXZAQBAMF-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16(18-7-3-2-4-8-18)26-24(30)19-11-9-17(10-12-19)15-25-20-21(23(29)22(20)28)27-13-5-6-14-27/h2-4,7-12,16,25H,5-6,13-15H2,1H3,(H,26,30)/t16-/m1/s1.
What are the key properties of 4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]-N-[(1R)-1-phenylethyl]benzamide?
4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 403.48 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 98192826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).