2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide

C15H28N2O2 — CID 60641272

IUPAC2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNC(C)C1CC2CCC1C2
InChIInChI=1S/C15H28N2O2/c1-11(14-9-12-4-5-13(14)8-12)17-10-15(18)16-6-3-7-19-2/h11-14,17H,3-10H2,1-2H3,(H,16,18)
InChIKeyQEDQVWOOQRWVEH-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.55
Rot. Bonds8

About 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide

2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 60641272) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide
PubChem CID60641272
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNC(C)C1CC2CCC1C2
InChIInChI=1S/C15H28N2O2/c1-11(14-9-12-4-5-13(14)8-12)17-10-15(18)16-6-3-7-19-2/h11-14,17H,3-10H2,1-2H3,(H,16,18)
InChIKeyQEDQVWOOQRWVEH-UHFFFAOYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-methoxyethylamino)acetamide
CID 129429061
(Z)-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
CID 108836820
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide
CID 43179826
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxypropan-1-amine
CID 65176203
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide
CID 103604103
methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-bromopropanoate
CID 103233673
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 43179794
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 60648644
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137772
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide
CID 81392388

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide (CID 60641272) is 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNC(C)C1CC2CCC1C2.
What is the InChIKey of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is QEDQVWOOQRWVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(14-9-12-4-5-13(14)8-12)17-10-15(18)16-6-3-7-19-2/h11-14,17H,3-10H2,1-2H3,(H,16,18).
What are the key properties of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide?
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 268.40 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 60641272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).