1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride

C20H29ClN2O4 — CID 119303810

IUPAC1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)CCCCC1
InChIInChI=1S/C20H28N2O4.ClH/c21-20(6-2-1-3-7-20)18(23)22-13-19(8-10-24-11-9-19)15-4-5-16-17(12-15)26-14-25-16;/h4-5,12H,1-3,6-11,13-14,21H2,(H,22,23);1H
InChIKeyAEQUOQLSQIIYSL-UHFFFAOYSA-N
MW396.92 g/mol
LogP2.66
Rot. Bonds4

About 1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119303810) has the molecular formula C20H29ClN2O4 and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119303810
Molecular FormulaC20H29ClN2O4
Molecular Weight396.92 g/mol
Exact Mass396.18
IUPAC Name1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)CCCCC1
InChIInChI=1S/C20H28N2O4.ClH/c21-20(6-2-1-3-7-20)18(23)22-13-19(8-10-24-11-9-19)15-4-5-16-17(12-15)26-14-25-16;/h4-5,12H,1-3,6-11,13-14,21H2,(H,22,23);1H
InChIKeyAEQUOQLSQIIYSL-UHFFFAOYSA-N
XLogP2.66
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride 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-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 119275374
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 119275364
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]azepane-1-carboxamide
CID 47873460
4-(aminomethyl)-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119303800
3-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]propanamide
CID 119303789
2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide
CID 119303765
1-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 119314904
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-ethylbutanamide
CID 47873986
2-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]benzamide
CID 119944971
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3,5-dimethylbenzamide
CID 47873937
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119749613

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119303810) is 1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)CCCCC1.
What is the InChIKey of 1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is AEQUOQLSQIIYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4.ClH/c21-20(6-2-1-3-7-20)18(23)22-13-19(8-10-24-11-9-19)15-4-5-16-17(12-15)26-14-25-16;/h4-5,12H,1-3,6-11,13-14,21H2,(H,22,23);1H.
What are the key properties of 1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119303810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).