N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-(diethylamino)propyl]oxamide

C18H33N3O2 — CID 108524735

IUPACN'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-(diethylamino)propyl]oxamide
SMILESCCN(CC)CCCNC(=O)C(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C18H33N3O2/c1-4-21(5-2)10-6-9-19-17(22)18(23)20-13(3)16-12-14-7-8-15(16)11-14/h13-16H,4-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyPSAIUODBSQKNDL-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.78
Rot. Bonds8

About N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-(diethylamino)propyl]oxamide

N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-(diethylamino)propyl]oxamide (PubChem CID 108524735) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-(diethylamino)propyl]oxamide.

Molecular Properties

Compound NameN'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-(diethylamino)propyl]oxamide
PubChem CID108524735
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC NameN'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-(diethylamino)propyl]oxamide
SMILESCCN(CC)CCCNC(=O)C(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C18H33N3O2/c1-4-21(5-2)10-6-9-19-17(22)18(23)20-13(3)16-12-14-7-8-15(16)11-14/h13-16H,4-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyPSAIUODBSQKNDL-UHFFFAOYSA-N
XLogP1.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-chloroethyl)oxamide
CID 108514035
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methylbutyl)oxamide
CID 108532529
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524378
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504925
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685686
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-butylthiourea
CID 19651483
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 110881340
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide
CID 108508984
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137772

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-(diethylamino)propyl]oxamide?
The IUPAC name of N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-(diethylamino)propyl]oxamide (CID 108524735) is N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-(diethylamino)propyl]oxamide.
What is the SMILES notation for N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-(diethylamino)propyl]oxamide?
The canonical SMILES for N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-(diethylamino)propyl]oxamide is CCN(CC)CCCNC(=O)C(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-(diethylamino)propyl]oxamide?
The InChIKey is PSAIUODBSQKNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-4-21(5-2)10-6-9-19-17(22)18(23)20-13(3)16-12-14-7-8-15(16)11-14/h13-16H,4-12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-(diethylamino)propyl]oxamide?
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-(diethylamino)propyl]oxamide has a molecular weight of 323.48 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-(diethylamino)propyl]oxamide is sourced from PubChem (CID 108524735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).