3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S,2R)-2-phenylcyclopropyl]propanamide

C21H20N2O2 — CID 95191281

IUPAC3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S,2R)-2-phenylcyclopropyl]propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C21H20N2O2/c1-14-16-9-5-6-10-17(16)21(25)23(14)12-11-20(24)22-19-13-18(19)15-7-3-2-4-8-15/h2-10,18-19H,1,11-13H2,(H,22,24)/t18-,19+/m1/s1
InChIKeyOXYSCSUHZYFEAX-MOPGFXCFSA-N
MW332.40 g/mol
LogP3.18
Rot. Bonds5

About 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S,2R)-2-phenylcyclopropyl]propanamide

3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S,2R)-2-phenylcyclopropyl]propanamide (PubChem CID 95191281) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S,2R)-2-phenylcyclopropyl]propanamide.

Molecular Properties

Compound Name3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S,2R)-2-phenylcyclopropyl]propanamide
PubChem CID95191281
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S,2R)-2-phenylcyclopropyl]propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C21H20N2O2/c1-14-16-9-5-6-10-17(16)21(25)23(14)12-11-20(24)22-19-13-18(19)15-7-3-2-4-8-15/h2-10,18-19H,1,11-13H2,(H,22,24)/t18-,19+/m1/s1
InChIKeyOXYSCSUHZYFEAX-MOPGFXCFSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide
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N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
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N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
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CID 16591872
3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide
CID 95191262
2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylcyclopropyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S,2R)-2-phenylcyclopropyl]propanamide?
The IUPAC name of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S,2R)-2-phenylcyclopropyl]propanamide (CID 95191281) is 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S,2R)-2-phenylcyclopropyl]propanamide.
What is the SMILES notation for 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S,2R)-2-phenylcyclopropyl]propanamide?
The canonical SMILES for 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S,2R)-2-phenylcyclopropyl]propanamide is C=C1c2ccccc2C(=O)N1CCC(=O)N[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S,2R)-2-phenylcyclopropyl]propanamide?
The InChIKey is OXYSCSUHZYFEAX-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14-16-9-5-6-10-17(16)21(25)23(14)12-11-20(24)22-19-13-18(19)15-7-3-2-4-8-15/h2-10,18-19H,1,11-13H2,(H,22,24)/t18-,19+/m1/s1.
What are the key properties of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S,2R)-2-phenylcyclopropyl]propanamide?
3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S,2R)-2-phenylcyclopropyl]propanamide has a molecular weight of 332.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S,2R)-2-phenylcyclopropyl]propanamide is sourced from PubChem (CID 95191281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).