N-[4-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-2-hydroxyacetamide

C18H24N2O5 — CID 156605646

IUPACN-[4-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-2-hydroxyacetamide
SMILESCOc1cc(CN2CC(NC(=O)CO)C(C3CC3)C2)cc2c1OCO2
InChIInChI=1S/C18H24N2O5/c1-23-15-4-11(5-16-18(15)25-10-24-16)6-20-7-13(12-2-3-12)14(8-20)19-17(22)9-21/h4-5,12-14,21H,2-3,6-10H2,1H3,(H,19,22)
InChIKeySTNFYXAIKLEELO-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.74
Rot. Bonds6

About N-[4-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-2-hydroxyacetamide

N-[4-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-2-hydroxyacetamide (PubChem CID 156605646) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[4-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[4-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-2-hydroxyacetamide
PubChem CID156605646
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC NameN-[4-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-2-hydroxyacetamide
SMILESCOc1cc(CN2CC(NC(=O)CO)C(C3CC3)C2)cc2c1OCO2
InChIInChI=1S/C18H24N2O5/c1-23-15-4-11(5-16-18(15)25-10-24-16)6-20-7-13(12-2-3-12)14(8-20)19-17(22)9-21/h4-5,12-14,21H,2-3,6-10H2,1H3,(H,19,22)
InChIKeySTNFYXAIKLEELO-UHFFFAOYSA-N
XLogP0.74
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3aS,7aR)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 70756843
(3aR,7aR)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154807431
2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propanedioic acid
CID 170895488
(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-methyl-1,4-oxazepane
CID 99930964
8-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72923481
1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine
CID 1352847
(1R,2S,8S,9S)-11-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 163307952
cyclopropyl-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]piperidin-1-yl]methanone
CID 56808723
methyl 2-(aminomethyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate
CID 113480937
N-[(1R,2R)-2-methoxy-1'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 26344005
(2S,4S)-4-amino-N,N-diethyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 56718210
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]propanamide
CID 45215619

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-2-hydroxyacetamide?
The IUPAC name of N-[4-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-2-hydroxyacetamide (CID 156605646) is N-[4-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[4-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[4-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-2-hydroxyacetamide is COc1cc(CN2CC(NC(=O)CO)C(C3CC3)C2)cc2c1OCO2.
What is the InChIKey of N-[4-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-2-hydroxyacetamide?
The InChIKey is STNFYXAIKLEELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-23-15-4-11(5-16-18(15)25-10-24-16)6-20-7-13(12-2-3-12)14(8-20)19-17(22)9-21/h4-5,12-14,21H,2-3,6-10H2,1H3,(H,19,22).
What are the key properties of N-[4-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-2-hydroxyacetamide?
N-[4-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-2-hydroxyacetamide has a molecular weight of 348.40 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-2-hydroxyacetamide is sourced from PubChem (CID 156605646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).