N-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide

C18H24N2O — CID 60972445

IUPACN-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide
SMILESCC(NCC(=O)NCc1ccccc1)C1CC2C=CC1C2
InChIInChI=1S/C18H24N2O/c1-13(17-10-15-7-8-16(17)9-15)19-12-18(21)20-11-14-5-3-2-4-6-14/h2-8,13,15-17,19H,9-12H2,1H3,(H,20,21)
InChIKeyVWORQHCQUZMQET-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.49
Rot. Bonds6

About N-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide

N-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide (PubChem CID 60972445) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide
PubChem CID60972445
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide
SMILESCC(NCC(=O)NCc1ccccc1)C1CC2C=CC1C2
InChIInChI=1S/C18H24N2O/c1-13(17-10-15-7-8-16(17)9-15)19-12-18(21)20-11-14-5-3-2-4-6-14/h2-8,13,15-17,19H,9-12H2,1H3,(H,20,21)
InChIKeyVWORQHCQUZMQET-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide
CID 43545529
N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 104696422
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-ethyl-N-methylacetamide
CID 114132337
N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide
CID 81378591
N-benzyl-2-(heptan-4-ylamino)acetamide
CID 54881646
N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133243
N-benzyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917782
N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086041
N-benzyl-2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]acetamide
CID 91056826
2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid
CID 61458090
N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 47030850

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide?
The IUPAC name of N-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide (CID 60972445) is N-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide?
The canonical SMILES for N-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide is CC(NCC(=O)NCc1ccccc1)C1CC2C=CC1C2.
What is the InChIKey of N-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide?
The InChIKey is VWORQHCQUZMQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(17-10-15-7-8-16(17)9-15)19-12-18(21)20-11-14-5-3-2-4-6-14/h2-8,13,15-17,19H,9-12H2,1H3,(H,20,21).
What are the key properties of N-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide?
N-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide has a molecular weight of 284.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide is sourced from PubChem (CID 60972445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).