N-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide

C16H18N2O3 — CID 62628305

IUPACN-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide
SMILESCc1ccc(C)c2c1C(=O)C(=O)N2CCC(=O)NC1CC1
InChIInChI=1S/C16H18N2O3/c1-9-3-4-10(2)14-13(9)15(20)16(21)18(14)8-7-12(19)17-11-5-6-11/h3-4,11H,5-8H2,1-2H3,(H,17,19)
InChIKeyBPOIDJFCTCUKBQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.50
Rot. Bonds4

About N-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide

N-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide (PubChem CID 62628305) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide
PubChem CID62628305
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide
SMILESCc1ccc(C)c2c1C(=O)C(=O)N2CCC(=O)NC1CC1
InChIInChI=1S/C16H18N2O3/c1-9-3-4-10(2)14-13(9)15(20)16(21)18(14)8-7-12(19)17-11-5-6-11/h3-4,11H,5-8H2,1-2H3,(H,17,19)
InChIKeyBPOIDJFCTCUKBQ-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 112731299
N-cyclopropyl-2-(4,7-difluoro-2,3-dioxoindol-1-yl)acetamide
CID 83215945
N-cyclopropyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 60667695
1-[2-(dimethylamino)ethyl]-4,7-dimethylindole-2,3-dione
CID 61354837
2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide
CID 61357112
N-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202679
3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide
CID 83215709
N-cyclopropyl-3-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106672855
3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methylcyclohexyl)propanamide
CID 98613004
3-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methylcyclohexyl)propanamide
CID 11859382
4,7-dimethyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione
CID 61491550
1-[3-(cyclopropylamino)-3-oxopropyl]-6-oxopyridine-2-carboxylic acid
CID 114040167

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide (CID 62628305) is N-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide is Cc1ccc(C)c2c1C(=O)C(=O)N2CCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide?
The InChIKey is BPOIDJFCTCUKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9-3-4-10(2)14-13(9)15(20)16(21)18(14)8-7-12(19)17-11-5-6-11/h3-4,11H,5-8H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide?
N-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide has a molecular weight of 286.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide is sourced from PubChem (CID 62628305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).