N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide

C18H28N2O — CID 65022816

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
SMILESNCCc1ccc(CNC(=O)C2CCCCCCC2)cc1
InChIInChI=1S/C18H28N2O/c19-13-12-15-8-10-16(11-9-15)14-20-18(21)17-6-4-2-1-3-5-7-17/h8-11,17H,1-7,12-14,19H2,(H,20,21)
InChIKeyLQRZKEXCOZFLCN-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.16
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide

N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide (PubChem CID 65022816) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
PubChem CID65022816
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
SMILESNCCc1ccc(CNC(=O)C2CCCCCCC2)cc1
InChIInChI=1S/C18H28N2O/c19-13-12-15-8-10-16(11-9-15)14-20-18(21)17-6-4-2-1-3-5-7-17/h8-11,17H,1-7,12-14,19H2,(H,20,21)
InChIKeyLQRZKEXCOZFLCN-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea
CID 62500632
N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119384153
N-benzylcyclopentanecarboxamide
CID 835634
N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
CID 119260663
N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
CID 107231476
N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
CID 110781018
N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 62501487
N-benzylcyclobutanecarboxamide
CID 730128
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
N-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride
CID 119655210

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide (CID 65022816) is N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide is NCCc1ccc(CNC(=O)C2CCCCCCC2)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide?
The InChIKey is LQRZKEXCOZFLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c19-13-12-15-8-10-16(11-9-15)14-20-18(21)17-6-4-2-1-3-5-7-17/h8-11,17H,1-7,12-14,19H2,(H,20,21).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide?
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide is sourced from PubChem (CID 65022816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).