3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C17H23N3O2 — CID 119684897

IUPAC3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C2C3CCC(C3)C2N)cc1
InChIInChI=1S/C17H23N3O2/c1-20(2)17(22)10-5-7-13(8-6-10)19-16(21)14-11-3-4-12(9-11)15(14)18/h5-8,11-12,14-15H,3-4,9,18H2,1-2H3,(H,19,21)
InChIKeySKYIXAAZFAYNHG-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.70
Rot. Bonds3

About 3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119684897) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119684897
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C2C3CCC(C3)C2N)cc1
InChIInChI=1S/C17H23N3O2/c1-20(2)17(22)10-5-7-13(8-6-10)19-16(21)14-11-3-4-12(9-11)15(14)18/h5-8,11-12,14-15H,3-4,9,18H2,1-2H3,(H,19,21)
InChIKeySKYIXAAZFAYNHG-UHFFFAOYSA-N
XLogP1.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119718964
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119719010
3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119714116
4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide
CID 114996355
3-amino-N-[4-(phenylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756435
3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119740941
4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide
CID 79211253
3-amino-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119827836
3-amino-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726164
3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119672844
methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate
CID 119775677
3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119743286

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119684897) is 3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is CN(C)C(=O)c1ccc(NC(=O)C2C3CCC(C3)C2N)cc1.
What is the InChIKey of 3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is SKYIXAAZFAYNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-20(2)17(22)10-5-7-13(8-6-10)19-16(21)14-11-3-4-12(9-11)15(14)18/h5-8,11-12,14-15H,3-4,9,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119684897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).