1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide

C23H25N3O3 — CID 109143768

IUPAC1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC2C(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C23H25N3O3/c1-15(27)16-5-4-6-18(13-16)25-23(29)21-14-20(21)22(28)24-17-7-9-19(10-8-17)26-11-2-3-12-26/h4-10,13,20-21H,2-3,11-12,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyHLVFGCPOOHOGKJ-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.70
Rot. Bonds6

About 1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide

1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109143768) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109143768
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC2C(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C23H25N3O3/c1-15(27)16-5-4-6-18(13-16)25-23(29)21-14-20(21)22(28)24-17-7-9-19(10-8-17)26-11-2-3-12-26/h4-10,13,20-21H,2-3,11-12,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyHLVFGCPOOHOGKJ-UHFFFAOYSA-N
XLogP3.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138446
1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143968
2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109134764
N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013625
2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142489
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992265
N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134431
2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109133407
2-N-(2-methoxyethyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133042
2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142532
2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141618

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide (CID 109143768) is 1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide is CC(=O)c1cccc(NC(=O)C2CC2C(=O)Nc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of 1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is HLVFGCPOOHOGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15(27)16-5-4-6-18(13-16)25-23(29)21-14-20(21)22(28)24-17-7-9-19(10-8-17)26-11-2-3-12-26/h4-10,13,20-21H,2-3,11-12,14H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide?
1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).