N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide

C26H24N4O5 — CID 55962953

IUPACN-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCOc1ccc(N2C(=O)c3ccc(C(=O)NC(C)c4ccc(NC(N)=O)cc4)cc3C2=O)cc1
InChIInChI=1S/C26H24N4O5/c1-3-35-20-11-9-19(10-12-20)30-24(32)21-13-6-17(14-22(21)25(30)33)23(31)28-15(2)16-4-7-18(8-5-16)29-26(27)34/h4-15H,3H2,1-2H3,(H,28,31)(H3,27,29,34)
InChIKeyUBSNOZHBLQMFPM-UHFFFAOYSA-N
MW472.50 g/mol
LogP3.87
Rot. Bonds7

About N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide

N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55962953) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID55962953
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCOc1ccc(N2C(=O)c3ccc(C(=O)NC(C)c4ccc(NC(N)=O)cc4)cc3C2=O)cc1
InChIInChI=1S/C26H24N4O5/c1-3-35-20-11-9-19(10-12-20)30-24(32)21-13-6-17(14-22(21)25(30)33)23(31)28-15(2)16-4-7-18(8-5-16)29-26(27)34/h4-15H,3H2,1-2H3,(H,28,31)(H3,27,29,34)
InChIKeyUBSNOZHBLQMFPM-UHFFFAOYSA-N
XLogP3.87
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 24610188
2-(4-ethoxyphenyl)-1,3-dioxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]isoindole-5-carboxamide
CID 27741644
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2590106
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 43014853
2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 867582
N-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 26662314
N-(3-acetamido-4-fluorophenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 55532881
2-(4-ethoxyphenyl)-N-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 27166980
N-(3-aminopropyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119407220
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
2-(4-ethoxyphenyl)-N-(4-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 26782849
2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 55983161

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 55962953) is N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide is CCOc1ccc(N2C(=O)c3ccc(C(=O)NC(C)c4ccc(NC(N)=O)cc4)cc3C2=O)cc1.
What is the InChIKey of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is UBSNOZHBLQMFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5/c1-3-35-20-11-9-19(10-12-20)30-24(32)21-13-6-17(14-22(21)25(30)33)23(31)28-15(2)16-4-7-18(8-5-16)29-26(27)34/h4-15H,3H2,1-2H3,(H,28,31)(H3,27,29,34).
What are the key properties of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 472.50 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55962953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).