N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide

C16H22N2O3 — CID 119742450

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide
SMILESCCC(NC(=O)C1CCNC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O3/c1-2-13(18-16(19)12-5-6-17-10-12)11-3-4-14-15(9-11)21-8-7-20-14/h3-4,9,12-13,17H,2,5-8,10H2,1H3,(H,18,19)
InChIKeyBXGUASWDQBVOHC-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.63
Rot. Bonds4

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide (PubChem CID 119742450) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide
PubChem CID119742450
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide
SMILESCCC(NC(=O)C1CCNC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O3/c1-2-13(18-16(19)12-5-6-17-10-12)11-3-4-14-15(9-11)21-8-7-20-14/h3-4,9,12-13,17H,2,5-8,10H2,1H3,(H,18,19)
InChIKeyBXGUASWDQBVOHC-UHFFFAOYSA-N
XLogP1.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperidine-3-carboxamide;hydrochloride
CID 119299785
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119691916
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119270831
(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120789179
2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]-2-oxoacetic acid
CID 99784112
N-(1-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119279865
(3R,4S)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120926853
N-(1-phenylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119279862
N-[1-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 43708609
2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide
CID 55907604
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,2-diphenylacetamide
CID 60538414
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 93070562

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide (CID 119742450) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide is CCC(NC(=O)C1CCNC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is BXGUASWDQBVOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-13(18-16(19)12-5-6-17-10-12)11-3-4-14-15(9-11)21-8-7-20-14/h3-4,9,12-13,17H,2,5-8,10H2,1H3,(H,18,19).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119742450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).