N,2-dimethyl-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C18H25NO3 — CID 112818417

IUPACN,2-dimethyl-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1CCCCC1N(C)C(=O)C1Oc2ccccc2OC1C
InChIInChI=1S/C18H25NO3/c1-12-8-4-5-9-14(12)19(3)18(20)17-13(2)21-15-10-6-7-11-16(15)22-17/h6-7,10-14,17H,4-5,8-9H2,1-3H3
InChIKeyCWQSVPTYDRNHKP-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.25
Rot. Bonds2

About N,2-dimethyl-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N,2-dimethyl-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 112818417) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID112818417
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN,2-dimethyl-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1CCCCC1N(C)C(=O)C1Oc2ccccc2OC1C
InChIInChI=1S/C18H25NO3/c1-12-8-4-5-9-14(12)19(3)18(20)17-13(2)21-15-10-6-7-11-16(15)22-17/h6-7,10-14,17H,4-5,8-9H2,1-3H3
InChIKeyCWQSVPTYDRNHKP-UHFFFAOYSA-N
XLogP3.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,2-dimethyl-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-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-(1,1-dioxothiolan-3-yl)-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43053951
(2S,3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 93275715
N-cyclopentyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 46698192
N,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51286352
N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 60703627
2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 78428488
N-methyl-N-(2-methylcyclohexyl)furan-2-carboxamide
CID 42951861
azepan-1-yl-[(2R,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 94061458
azepan-1-yl-[(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 94061459
(2S,3R)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-3-phenyloxirane-2-carboxamide
CID 87512927
(2S)-2-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylacetamide
CID 104897433
N-(3-hydroxybutyl)-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 115691468

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 112818417) is N,2-dimethyl-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC1CCCCC1N(C)C(=O)C1Oc2ccccc2OC1C.
What is the InChIKey of N,2-dimethyl-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is CWQSVPTYDRNHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12-8-4-5-9-14(12)19(3)18(20)17-13(2)21-15-10-6-7-11-16(15)22-17/h6-7,10-14,17H,4-5,8-9H2,1-3H3.
What are the key properties of N,2-dimethyl-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N,2-dimethyl-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 303.40 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 112818417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).