N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]pentanamide

C18H26N2O3 — CID 110287494

IUPACN-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]pentanamide
SMILESCCCCC(=O)NCC(c1ccc2c(c1)OCO2)N1CCCC1
InChIInChI=1S/C18H26N2O3/c1-2-3-6-18(21)19-12-15(20-9-4-5-10-20)14-7-8-16-17(11-14)23-13-22-16/h7-8,11,15H,2-6,9-10,12-13H2,1H3,(H,19,21)
InChIKeyYXMVJBSIVBOXCV-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.86
Rot. Bonds7

About N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]pentanamide

N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]pentanamide (PubChem CID 110287494) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]pentanamide
PubChem CID110287494
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]pentanamide
SMILESCCCCC(=O)NCC(c1ccc2c(c1)OCO2)N1CCCC1
InChIInChI=1S/C18H26N2O3/c1-2-3-6-18(21)19-12-15(20-9-4-5-10-20)14-7-8-16-17(11-14)23-13-22-16/h7-8,11,15H,2-6,9-10,12-13H2,1H3,(H,19,21)
InChIKeyYXMVJBSIVBOXCV-UHFFFAOYSA-N
XLogP2.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide
CID 110287527
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 42457175
N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-3-phenylbutanamide
CID 110427617
N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 52985969
N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 110306577
(E)-N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-3-phenylbut-2-enamide
CID 110306584
N'-[2-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N-butyloxamide
CID 18574688
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-3,3-dimethylbutanamide
CID 7285774
1-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-3-benzylurea
CID 110354126
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-3,4-dimethoxybenzamide
CID 42457132
N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)pentanamide
CID 16931235
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7496489

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]pentanamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]pentanamide (CID 110287494) is N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]pentanamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]pentanamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]pentanamide is CCCCC(=O)NCC(c1ccc2c(c1)OCO2)N1CCCC1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]pentanamide?
The InChIKey is YXMVJBSIVBOXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-3-6-18(21)19-12-15(20-9-4-5-10-20)14-7-8-16-17(11-14)23-13-22-16/h7-8,11,15H,2-6,9-10,12-13H2,1H3,(H,19,21).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]pentanamide?
N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]pentanamide has a molecular weight of 318.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]pentanamide is sourced from PubChem (CID 110287494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).