N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

C19H25N3O4 — CID 119618037

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCC(N2CC(C(=O)Nc3cc4c(cc3N)OCO4)CC2=O)CC1
InChIInChI=1S/C19H25N3O4/c1-11-2-4-13(5-3-11)22-9-12(6-18(22)23)19(24)21-15-8-17-16(7-14(15)20)25-10-26-17/h7-8,11-13H,2-6,9-10,20H2,1H3,(H,21,24)
InChIKeyTYHYHENXODWALR-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.36
Rot. Bonds3

About N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 119618037) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID119618037
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCC(N2CC(C(=O)Nc3cc4c(cc3N)OCO4)CC2=O)CC1
InChIInChI=1S/C19H25N3O4/c1-11-2-4-13(5-3-11)22-9-12(6-18(22)23)19(24)21-15-8-17-16(7-14(15)20)25-10-26-17/h7-8,11-13H,2-6,9-10,20H2,1H3,(H,21,24)
InChIKeyTYHYHENXODWALR-UHFFFAOYSA-N
XLogP2.36
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119618091
N-(6-amino-1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119618569
N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119619009
N-(6-amino-1,3-benzodioxol-5-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 119618709
N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119618817
N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119618446
N-(6-amino-1,3-benzodioxol-5-yl)-5-methyloxolane-3-carboxamide
CID 114824227
N-(2-amino-5-methoxyphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119420735
1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 119219560
N-(6-amino-1,3-benzodioxol-5-yl)oxane-3-carboxamide;hydrochloride
CID 119618602
N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119504992

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (CID 119618037) is N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is CC1CCC(N2CC(C(=O)Nc3cc4c(cc3N)OCO4)CC2=O)CC1.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is TYHYHENXODWALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-11-2-4-13(5-3-11)22-9-12(6-18(22)23)19(24)21-15-8-17-16(7-14(15)20)25-10-26-17/h7-8,11-13H,2-6,9-10,20H2,1H3,(H,21,24).
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119618037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).