N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide

C18H26N2O3 — CID 119475074

IUPACN-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESNC1CCC(NC(=O)c2cccc(OCC3CCCO3)c2)CC1
InChIInChI=1S/C18H26N2O3/c19-14-6-8-15(9-7-14)20-18(21)13-3-1-4-16(11-13)23-12-17-5-2-10-22-17/h1,3-4,11,14-15,17H,2,5-10,12,19H2,(H,20,21)
InChIKeyZCIPATJCUSJVOR-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.24
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide

N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 119475074) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID119475074
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESNC1CCC(NC(=O)c2cccc(OCC3CCCO3)c2)CC1
InChIInChI=1S/C18H26N2O3/c19-14-6-8-15(9-7-14)20-18(21)13-3-1-4-16(11-13)23-12-17-5-2-10-22-17/h1,3-4,11,14-15,17H,2,5-10,12,19H2,(H,20,21)
InChIKeyZCIPATJCUSJVOR-UHFFFAOYSA-N
XLogP2.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide 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-(8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119455783
N-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 120599937
N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 119619503
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119421992
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119225550
N-(4-aminocyclohexyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119478873
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide (CID 119475074) is N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide is NC1CCC(NC(=O)c2cccc(OCC3CCCO3)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is ZCIPATJCUSJVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c19-14-6-8-15(9-7-14)20-18(21)13-3-1-4-16(11-13)23-12-17-5-2-10-22-17/h1,3-4,11,14-15,17H,2,5-10,12,19H2,(H,20,21).
What are the key properties of N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide?
N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 318.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 119475074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).