1-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-2-methyl-2-phenylcyclopropane-1-carboxamide

C23H24N2O3 — CID 123953058

IUPAC1-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-2-methyl-2-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1(N2C(=O)c3ccccc3C2=O)CC1(C)c1ccccc1
InChIInChI=1S/C23H24N2O3/c1-4-24(5-2)21(28)23(15-22(23,3)16-11-7-6-8-12-16)25-19(26)17-13-9-10-14-18(17)20(25)27/h6-14H,4-5,15H2,1-3H3
InChIKeyKSOPXOFMUDKDIL-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.25
Rot. Bonds5

About 1-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-2-methyl-2-phenylcyclopropane-1-carboxamide

1-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-2-methyl-2-phenylcyclopropane-1-carboxamide (PubChem CID 123953058) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-2-methyl-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-2-methyl-2-phenylcyclopropane-1-carboxamide
PubChem CID123953058
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-2-methyl-2-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1(N2C(=O)c3ccccc3C2=O)CC1(C)c1ccccc1
InChIInChI=1S/C23H24N2O3/c1-4-24(5-2)21(28)23(15-22(23,3)16-11-7-6-8-12-16)25-19(26)17-13-9-10-14-18(17)20(25)27/h6-14H,4-5,15H2,1-3H3
InChIKeyKSOPXOFMUDKDIL-UHFFFAOYSA-N
XLogP3.25
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 169438411
methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate
CID 15168083
N,N-diethyl-4-phenylpiperidine-4-carboxamide
CID 22361711
N,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide
CID 85424074
(2S)-2-(1,3-dioxoisoindol-2-yl)spiro[2.2]pentane-2-carboxylic acid
CID 175815475
cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide
CID 58535208
2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione
CID 70464685
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide
CID 102234851
(2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 58550489
2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid
CID 54900888
3-[(1,3-dioxoisoindol-2-yl)methyl]-1,1-diethylurea
CID 19258990
cis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide
CID 10564350

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-2-methyl-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-2-methyl-2-phenylcyclopropane-1-carboxamide (CID 123953058) is 1-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-2-methyl-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-2-methyl-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-2-methyl-2-phenylcyclopropane-1-carboxamide is CCN(CC)C(=O)C1(N2C(=O)c3ccccc3C2=O)CC1(C)c1ccccc1.
What is the InChIKey of 1-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-2-methyl-2-phenylcyclopropane-1-carboxamide?
The InChIKey is KSOPXOFMUDKDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-4-24(5-2)21(28)23(15-22(23,3)16-11-7-6-8-12-16)25-19(26)17-13-9-10-14-18(17)20(25)27/h6-14H,4-5,15H2,1-3H3.
What are the key properties of 1-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-2-methyl-2-phenylcyclopropane-1-carboxamide?
1-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-2-methyl-2-phenylcyclopropane-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-2-methyl-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 123953058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).