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

C20H18N2O3 — CID 41288066

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C20H18N2O3/c23-17(21-13-20(10-11-20)14-6-2-1-3-7-14)12-22-18(24)15-8-4-5-9-16(15)19(22)25/h1-9H,10-13H2,(H,21,23)
InChIKeyMVQRCNPBCSUCTK-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.13
Rot. Bonds5

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

2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide (PubChem CID 41288066) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
PubChem CID41288066
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C20H18N2O3/c23-17(21-13-20(10-11-20)14-6-2-1-3-7-14)12-22-18(24)15-8-4-5-9-16(15)19(22)25/h1-9H,10-13H2,(H,21,23)
InChIKeyMVQRCNPBCSUCTK-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.13
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

2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 51317259
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16559242
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 99803682
2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 98340577
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111856328
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 42939591
2-[[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetyl]amino]acetic acid
CID 3022943

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide (CID 41288066) is 2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
The InChIKey is MVQRCNPBCSUCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-17(21-13-20(10-11-20)14-6-2-1-3-7-14)12-22-18(24)15-8-4-5-9-16(15)19(22)25/h1-9H,10-13H2,(H,21,23).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide has a molecular weight of 334.38 g/mol, XLogP of 2.13, 5 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)-N-[(1-phenylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 41288066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).