N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide

C22H28N2O3 — CID 110633667

IUPACN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide
SMILESCN(C)C(C(=O)NCCCCc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-24(2)21(18-9-4-3-5-10-18)22(25)23-13-7-6-8-17-11-12-19-20(16-17)27-15-14-26-19/h3-5,9-12,16,21H,6-8,13-15H2,1-2H3,(H,23,25)
InChIKeyNVVIJRNJFGSBFK-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.20
Rot. Bonds8

About N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide (PubChem CID 110633667) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide
PubChem CID110633667
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide
SMILESCN(C)C(C(=O)NCCCCc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-24(2)21(18-9-4-3-5-10-18)22(25)23-13-7-6-8-17-11-12-19-20(16-17)27-15-14-26-19/h3-5,9-12,16,21H,6-8,13-15H2,1-2H3,(H,23,25)
InChIKeyNVVIJRNJFGSBFK-UHFFFAOYSA-N
XLogP3.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide 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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]acetamide
CID 110633665
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-3-phenoxypropanamide
CID 110314174
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-phenylpropyl)propanamide
CID 31946678
2-[benzyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]-N-butylpropanamide
CID 132709800
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897255
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-1-phenylurea
CID 113217470
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 31946505
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide
CID 30476254
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(4-phenylbutyl)propanamide
CID 112837372
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-3-(furan-2-yl)propanamide
CID 110312236
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide
CID 42905702
(2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide
CID 94878697

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide (CID 110633667) is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide is CN(C)C(C(=O)NCCCCc1ccc2c(c1)OCCO2)c1ccccc1.
What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide?
The InChIKey is NVVIJRNJFGSBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-24(2)21(18-9-4-3-5-10-18)22(25)23-13-7-6-8-17-11-12-19-20(16-17)27-15-14-26-19/h3-5,9-12,16,21H,6-8,13-15H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide?
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide has a molecular weight of 368.48 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide is sourced from PubChem (CID 110633667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).