N-[4-(aminomethyl)cyclohexyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetamide

C17H24N2O3 — CID 154577785

IUPACN-[4-(aminomethyl)cyclohexyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetamide
SMILESNCC1CCC(NC(=O)Cc2cccc3c2OCCO3)CC1
InChIInChI=1S/C17H24N2O3/c18-11-12-4-6-14(7-5-12)19-16(20)10-13-2-1-3-15-17(13)22-9-8-21-15/h1-3,12,14H,4-11,18H2,(H,19,20)
InChIKeyAWFIPAMFHOITKL-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.63
Rot. Bonds4

About N-[4-(aminomethyl)cyclohexyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetamide

N-[4-(aminomethyl)cyclohexyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetamide (PubChem CID 154577785) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)cyclohexyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)cyclohexyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetamide
PubChem CID154577785
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[4-(aminomethyl)cyclohexyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetamide
SMILESNCC1CCC(NC(=O)Cc2cccc3c2OCCO3)CC1
InChIInChI=1S/C17H24N2O3/c18-11-12-4-6-14(7-5-12)19-16(20)10-13-2-1-3-15-17(13)22-9-8-21-15/h1-3,12,14H,4-11,18H2,(H,19,20)
InChIKeyAWFIPAMFHOITKL-UHFFFAOYSA-N
XLogP1.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(aminomethyl)cyclohexyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetamide 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

1-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)methanamine
CID 43583314
4-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclohexane-1-carboxylic acid
CID 120509927
2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride
CID 2795039
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide
CID 81321943
N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)ethyl]-2-methylpropanamide
CID 43583637
4-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)cyclohexan-1-ol
CID 43583461
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 62955505
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-ethylcyclohexyl)acetamide
CID 112816529
2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)propanedioic acid
CID 22418952
3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)butanamide
CID 115677046
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylcyclohexyl)acetamide
CID 55406857

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)cyclohexyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetamide?
The IUPAC name of N-[4-(aminomethyl)cyclohexyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetamide (CID 154577785) is N-[4-(aminomethyl)cyclohexyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetamide.
What is the SMILES notation for N-[4-(aminomethyl)cyclohexyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetamide?
The canonical SMILES for N-[4-(aminomethyl)cyclohexyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetamide is NCC1CCC(NC(=O)Cc2cccc3c2OCCO3)CC1.
What is the InChIKey of N-[4-(aminomethyl)cyclohexyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetamide?
The InChIKey is AWFIPAMFHOITKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c18-11-12-4-6-14(7-5-12)19-16(20)10-13-2-1-3-15-17(13)22-9-8-21-15/h1-3,12,14H,4-11,18H2,(H,19,20).
What are the key properties of N-[4-(aminomethyl)cyclohexyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetamide?
N-[4-(aminomethyl)cyclohexyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetamide has a molecular weight of 304.39 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-[4-(aminomethyl)cyclohexyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetamide is sourced from PubChem (CID 154577785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).