N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide

C20H32N2O3 — CID 119620313

IUPACN-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide
SMILESCOCCCOc1ccc(C(=O)NCCNC2CCCCCC2)cc1
InChIInChI=1S/C20H32N2O3/c1-24-15-6-16-25-19-11-9-17(10-12-19)20(23)22-14-13-21-18-7-4-2-3-5-8-18/h9-12,18,21H,2-8,13-16H2,1H3,(H,22,23)
InChIKeyPIWDETGWIOUFGS-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.14
Rot. Bonds10

About N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide

N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide (PubChem CID 119620313) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide
PubChem CID119620313
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide
SMILESCOCCCOc1ccc(C(=O)NCCNC2CCCCCC2)cc1
InChIInChI=1S/C20H32N2O3/c1-24-15-6-16-25-19-11-9-17(10-12-19)20(23)22-14-13-21-18-7-4-2-3-5-8-18/h9-12,18,21H,2-8,13-16H2,1H3,(H,22,23)
InChIKeyPIWDETGWIOUFGS-UHFFFAOYSA-N
XLogP3.14
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide
CID 119620956
N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 119620168
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464
1-N,4-N-bis[4-[2-(cyclohexylamino)ethylamino]butyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 512375
4-cyclopentyloxy-N-(2-methoxyethyl)benzamide
CID 34396260
N-(2-amino-1-cyclohexylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride
CID 119590589
N-cyclohexyl-4-propoxybenzamide
CID 4938429
4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride
CID 119620022
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
4-butoxy-N-cyclobutylbenzamide
CID 71449411
4-(cyclopentylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 109059323

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide (CID 119620313) is N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide is COCCCOc1ccc(C(=O)NCCNC2CCCCCC2)cc1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide?
The InChIKey is PIWDETGWIOUFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-24-15-6-16-25-19-11-9-17(10-12-19)20(23)22-14-13-21-18-7-4-2-3-5-8-18/h9-12,18,21H,2-8,13-16H2,1H3,(H,22,23).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide?
N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide has a molecular weight of 348.49 g/mol, XLogP of 3.14, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide is sourced from PubChem (CID 119620313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).