N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide

C20H29N3O3 — CID 128783827

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCCO2)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C20H29N3O3/c24-19(23-11-6-20(7-12-23)4-9-21-10-5-20)22-8-3-16-1-2-17-18(15-16)26-14-13-25-17/h1-2,15,21H,3-14H2,(H,22,24)
InChIKeyOHCWUAZFPMHWFM-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.18
Rot. Bonds3

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide (PubChem CID 128783827) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide
PubChem CID128783827
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCCO2)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C20H29N3O3/c24-19(23-11-6-20(7-12-23)4-9-21-10-5-20)22-8-3-16-1-2-17-18(15-16)26-14-13-25-17/h1-2,15,21H,3-14H2,(H,22,24)
InChIKeyOHCWUAZFPMHWFM-UHFFFAOYSA-N
XLogP2.18
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide
CID 34673472
N-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide
CID 113217356
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71990073
1-butan-2-yl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
CID 47216305
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87000385
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide;hydrochloride
CID 119266692
1-cyano-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]formamide
CID 115172455
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-fluorobenzamide
CID 2677541
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63141698
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 113217434
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-4-oxobutanoic acid
CID 9152135
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(methylamino)acetamide
CID 24694943

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide (CID 128783827) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide is O=C(NCCc1ccc2c(c1)OCCO2)N1CCC2(CCNCC2)CC1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The InChIKey is OHCWUAZFPMHWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-19(23-11-6-20(7-12-23)4-9-21-10-5-20)22-8-3-16-1-2-17-18(15-16)26-14-13-25-17/h1-2,15,21H,3-14H2,(H,22,24).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 128783827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).