N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

C16H18N2O3 — CID 51547425

IUPACN-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESC[C@H](C1CC1)N(C)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H18N2O3/c1-10(11-7-8-11)17(2)14(19)9-18-15(20)12-5-3-4-6-13(12)16(18)21/h3-6,10-11H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyMIYALPXNMOIGDE-SNVBAGLBSA-N
MW286.33 g/mol
LogP1.54
Rot. Bonds4

About N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (PubChem CID 51547425) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
PubChem CID51547425
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESC[C@H](C1CC1)N(C)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H18N2O3/c1-10(11-7-8-11)17(2)14(19)9-18-15(20)12-5-3-4-6-13(12)16(18)21/h3-6,10-11H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyMIYALPXNMOIGDE-SNVBAGLBSA-N
XLogP1.54
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (CID 51547425) is N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is C[C@H](C1CC1)N(C)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The InChIKey is MIYALPXNMOIGDE-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10(11-7-8-11)17(2)14(19)9-18-15(20)12-5-3-4-6-13(12)16(18)21/h3-6,10-11H,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide has a molecular weight of 286.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is sourced from PubChem (CID 51547425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).