N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide

C17H26N2O2 — CID 81487134

IUPACN-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCNC1CCCCCC1
InChIInChI=1S/C17H26N2O2/c1-21-16-11-7-6-10-15(16)17(20)19-13-12-18-14-8-4-2-3-5-9-14/h6-7,10-11,14,18H,2-5,8-9,12-13H2,1H3,(H,19,20)
InChIKeyHRHGQGGGUSSSEA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.74
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide

N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide (PubChem CID 81487134) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide
PubChem CID81487134
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCNC1CCCCCC1
InChIInChI=1S/C17H26N2O2/c1-21-16-11-7-6-10-15(16)17(20)19-13-12-18-14-8-4-2-3-5-9-14/h6-7,10-11,14,18H,2-5,8-9,12-13H2,1H3,(H,19,20)
InChIKeyHRHGQGGGUSSSEA-UHFFFAOYSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamide
CID 62665285
N-[2-(cycloheptylamino)ethyl]-2-ethoxybenzamide;hydrochloride
CID 119620937
N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide
CID 119619869
N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)benzamide;hydrochloride
CID 119620824
2-methoxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653454
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide
CID 119619663
ethyl 4-[2-[(2-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 25010852
N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 119619762
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide
CID 110443900

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide (CID 81487134) is N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide?
The InChIKey is HRHGQGGGUSSSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-16-11-7-6-10-15(16)17(20)19-13-12-18-14-8-4-2-3-5-9-14/h6-7,10-11,14,18H,2-5,8-9,12-13H2,1H3,(H,19,20).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide?
N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 81487134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).