2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[(1-phenylcyclopropyl)methyl]propanamide

C27H24N2O3 — CID 42939591

IUPAC2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[(1-phenylcyclopropyl)methyl]propanamide
SMILESO=C(NCC1(c2ccccc2)CC1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C27H24N2O3/c30-24(28-18-27(15-16-27)20-11-5-2-6-12-20)23(17-19-9-3-1-4-10-19)29-25(31)21-13-7-8-14-22(21)26(29)32/h1-14,23H,15-18H2,(H,28,30)
InChIKeyWHNBPECJVASRJU-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.74
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[(1-phenylcyclopropyl)methyl]propanamide

2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[(1-phenylcyclopropyl)methyl]propanamide (PubChem CID 42939591) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[(1-phenylcyclopropyl)methyl]propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[(1-phenylcyclopropyl)methyl]propanamide
PubChem CID42939591
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[(1-phenylcyclopropyl)methyl]propanamide
SMILESO=C(NCC1(c2ccccc2)CC1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C27H24N2O3/c30-24(28-18-27(15-16-27)20-11-5-2-6-12-20)23(17-19-9-3-1-4-10-19)29-25(31)21-13-7-8-14-22(21)26(29)32/h1-14,23H,15-18H2,(H,28,30)
InChIKeyWHNBPECJVASRJU-UHFFFAOYSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19739690
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 5024298
(2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2666747
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8927721
2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide
CID 4158596
2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide
CID 2920603
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 3890991
2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 41288066
2-(1,3-dioxoisoindol-2-yl)-N-pent-4-enyl-3-phenylpropanamide
CID 151805850
N-[2-(3-chloropropanoylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 108571884
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl chloride
CID 42325650
(2S)-N-[(2S)-butan-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2597519

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[(1-phenylcyclopropyl)methyl]propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[(1-phenylcyclopropyl)methyl]propanamide (CID 42939591) is 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[(1-phenylcyclopropyl)methyl]propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[(1-phenylcyclopropyl)methyl]propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[(1-phenylcyclopropyl)methyl]propanamide is O=C(NCC1(c2ccccc2)CC1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[(1-phenylcyclopropyl)methyl]propanamide?
The InChIKey is WHNBPECJVASRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c30-24(28-18-27(15-16-27)20-11-5-2-6-12-20)23(17-19-9-3-1-4-10-19)29-25(31)21-13-7-8-14-22(21)26(29)32/h1-14,23H,15-18H2,(H,28,30).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[(1-phenylcyclopropyl)methyl]propanamide?
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[(1-phenylcyclopropyl)methyl]propanamide has a molecular weight of 424.50 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[(1-phenylcyclopropyl)methyl]propanamide is sourced from PubChem (CID 42939591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).