7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide

C21H32N2O3 — CID 119749608

IUPAC7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide
SMILESNCCCCCCC(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1
InChIInChI=1S/C21H32N2O3/c22-13-7-2-1-4-8-20(24)23-15-21(11-5-3-6-12-21)17-9-10-18-19(14-17)26-16-25-18/h9-10,14H,1-8,11-13,15-16,22H2,(H,23,24)
InChIKeyFLYFJKXPGQOPKT-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.64
Rot. Bonds9

About 7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide

7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide (PubChem CID 119749608) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide
PubChem CID119749608
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide
SMILESNCCCCCCC(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1
InChIInChI=1S/C21H32N2O3/c22-13-7-2-1-4-8-20(24)23-15-21(11-5-3-6-12-21)17-9-10-18-19(14-17)26-16-25-18/h9-10,14H,1-8,11-13,15-16,22H2,(H,23,24)
InChIKeyFLYFJKXPGQOPKT-UHFFFAOYSA-N
XLogP3.64
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide 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-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide
CID 119303765
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119749613
3-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]propanamide
CID 119303789
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 60578282
7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide
CID 119769932
7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119770559
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-N',N'-diethylpentanediamide
CID 56522025
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-2-(4-nitrophenyl)acetamide
CID 60578104
6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide
CID 42764530
4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride
CID 120559506
1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119303810
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 119275374

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide?
The IUPAC name of 7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide (CID 119749608) is 7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide.
What is the SMILES notation for 7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide?
The canonical SMILES for 7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide is NCCCCCCC(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1.
What is the InChIKey of 7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide?
The InChIKey is FLYFJKXPGQOPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c22-13-7-2-1-4-8-20(24)23-15-21(11-5-3-6-12-21)17-9-10-18-19(14-17)26-16-25-18/h9-10,14H,1-8,11-13,15-16,22H2,(H,23,24).
What are the key properties of 7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide?
7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide has a molecular weight of 360.50 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide is sourced from PubChem (CID 119749608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).