3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

C17H24N2O — CID 103808876

IUPAC3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCc1ccc(CNC(=O)C2C3CCC(C3)C2N)cc1
InChIInChI=1S/C17H24N2O/c1-2-11-3-5-12(6-4-11)10-19-17(20)15-13-7-8-14(9-13)16(15)18/h3-6,13-16H,2,7-10,18H2,1H3,(H,19,20)
InChIKeyVVULCPATJTUNFW-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.24
Rot. Bonds4

About 3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 103808876) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID103808876
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCc1ccc(CNC(=O)C2C3CCC(C3)C2N)cc1
InChIInChI=1S/C17H24N2O/c1-2-11-3-5-12(6-4-11)10-19-17(20)15-13-7-8-14(9-13)16(15)18/h3-6,13-16H,2,7-10,18H2,1H3,(H,19,20)
InChIKeyVVULCPATJTUNFW-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide 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

3-amino-N-[(4-methylsulfanylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119747894
3-amino-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675800
3-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119737448
3-amino-N-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119716369
3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119821858
3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119727864
3-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119694814
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119689643
3-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119699212
3-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119701616
N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119887003
3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119845461

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 103808876) is 3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is CCc1ccc(CNC(=O)C2C3CCC(C3)C2N)cc1.
What is the InChIKey of 3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is VVULCPATJTUNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-11-3-5-12(6-4-11)10-19-17(20)15-13-7-8-14(9-13)16(15)18/h3-6,13-16H,2,7-10,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 103808876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).