N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide

C18H28N2O2 — CID 119620956

IUPACN-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCCNC2CCCCCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-22-14-15-8-10-16(11-9-15)18(21)20-13-12-19-17-6-4-2-3-5-7-17/h8-11,17,19H,2-7,12-14H2,1H3,(H,20,21)
InChIKeyZBBYWACKPUDEMD-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.88
Rot. Bonds7

About N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide

N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide (PubChem CID 119620956) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide
PubChem CID119620956
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCCNC2CCCCCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-22-14-15-8-10-16(11-9-15)18(21)20-13-12-19-17-6-4-2-3-5-7-17/h8-11,17,19H,2-7,12-14H2,1H3,(H,20,21)
InChIKeyZBBYWACKPUDEMD-UHFFFAOYSA-N
XLogP2.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)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-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide
CID 119620313
N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 119620168
N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464
N-[2-(cycloheptylamino)ethyl]-4-(sulfamoylmethyl)benzamide
CID 119619320
4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide
CID 119503363
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
1-N,4-N-bis[4-[2-(cyclohexylamino)ethylamino]butyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 512375
N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119621364
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 119620952
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-nitrobenzamide
CID 119620213
4-(2-amino-2-oxoethoxy)-N-[2-(cycloheptylamino)ethyl]-3-methoxybenzamide
CID 119619542

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide (CID 119620956) is N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)NCCNC2CCCCCC2)cc1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide?
The InChIKey is ZBBYWACKPUDEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-22-14-15-8-10-16(11-9-15)18(21)20-13-12-19-17-6-4-2-3-5-7-17/h8-11,17,19H,2-7,12-14H2,1H3,(H,20,21).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide?
N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide has a molecular weight of 304.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 119620956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).