3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide

C14H25N3O2 — CID 71938759

IUPAC3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide
SMILESCNC(=O)CCNC(=O)NCCC1CC2CCC1C2
InChIInChI=1S/C14H25N3O2/c1-15-13(18)5-7-17-14(19)16-6-4-12-9-10-2-3-11(12)8-10/h10-12H,2-9H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeyXATBMOZXJAEEMV-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.25
Rot. Bonds6

About 3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide

3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide (PubChem CID 71938759) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide
PubChem CID71938759
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide
SMILESCNC(=O)CCNC(=O)NCCC1CC2CCC1C2
InChIInChI=1S/C14H25N3O2/c1-15-13(18)5-7-17-14(19)16-6-4-12-9-10-2-3-11(12)8-10/h10-12H,2-9H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeyXATBMOZXJAEEMV-UHFFFAOYSA-N
XLogP1.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide 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

1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-hydroxybutyl)urea
CID 111337233
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735957
4-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N,N-diethylbutanamide
CID 78892210
3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid
CID 55231648
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454649
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]urea
CID 166351582
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-[4-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylcarbamoylamino]butyl]urea
CID 124546515
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
CID 111454648
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 111618595
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-hydroxy-1-adamantyl)ethyl]urea
CID 166351578
methyl 3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]propanoate
CID 11367388
N-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide
CID 75416660

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide?
The IUPAC name of 3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide (CID 71938759) is 3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide?
The canonical SMILES for 3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide is CNC(=O)CCNC(=O)NCCC1CC2CCC1C2.
What is the InChIKey of 3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide?
The InChIKey is XATBMOZXJAEEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-15-13(18)5-7-17-14(19)16-6-4-12-9-10-2-3-11(12)8-10/h10-12H,2-9H2,1H3,(H,15,18)(H2,16,17,19).
What are the key properties of 3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide?
3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide has a molecular weight of 267.37 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide is sourced from PubChem (CID 71938759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).