N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide

C18H28N2O2 — CID 119619150

IUPACN-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCCNC2CCCCCC2)c1
InChIInChI=1S/C18H28N2O2/c1-22-17-10-6-7-15(13-17)14-18(21)20-12-11-19-16-8-4-2-3-5-9-16/h6-7,10,13,16,19H,2-5,8-9,11-12,14H2,1H3,(H,20,21)
InChIKeyUOVFKDWXICDICX-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.67
Rot. Bonds7

About N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide

N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 119619150) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide
PubChem CID119619150
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCCNC2CCCCCC2)c1
InChIInChI=1S/C18H28N2O2/c1-22-17-10-6-7-15(13-17)14-18(21)20-12-11-19-16-8-4-2-3-5-9-16/h6-7,10,13,16,19H,2-5,8-9,11-12,14H2,1H3,(H,20,21)
InChIKeyUOVFKDWXICDICX-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119261120
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 119620665
N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine
CID 62565943
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119620664
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043
N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119619460
N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide
CID 107321415
N-[2-(2-methoxyethoxy)ethyl]-2-(3-methoxyphenyl)acetamide
CID 86985384
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide
CID 114504420
2-(3-methoxyphenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961658

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide (CID 119619150) is N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NCCNC2CCCCCC2)c1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is UOVFKDWXICDICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-22-17-10-6-7-15(13-17)14-18(21)20-12-11-19-16-8-4-2-3-5-9-16/h6-7,10,13,16,19H,2-5,8-9,11-12,14H2,1H3,(H,20,21).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide?
N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.67, 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]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 119619150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).