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

C16H21N3O3 — CID 119702079

IUPAC3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)C2C3CCC(C3)C2N)c1
InChIInChI=1S/C16H21N3O3/c17-13(20)8-22-12-3-1-2-11(7-12)19-16(21)14-9-4-5-10(6-9)15(14)18/h1-3,7,9-10,14-15H,4-6,8,18H2,(H2,17,20)(H,19,21)
InChIKeyHSQHVYFDUSHJBW-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.86
Rot. Bonds5

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

3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119702079) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119702079
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)C2C3CCC(C3)C2N)c1
InChIInChI=1S/C16H21N3O3/c17-13(20)8-22-12-3-1-2-11(7-12)19-16(21)14-9-4-5-10(6-9)15(14)18/h1-3,7,9-10,14-15H,4-6,8,18H2,(H2,17,20)(H,19,21)
InChIKeyHSQHVYFDUSHJBW-UHFFFAOYSA-N
XLogP0.86
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119723456
3-amino-N-[3-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119714886
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119713684
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119846156
3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119884835
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60849251
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 64824522
3-amino-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119872968
3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702041
3-amino-N-[3-(methylsulfonylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756848
2-[3-(cyclopropylmethylamino)phenoxy]acetamide
CID 43720269
(2S,5R)-5-(aminomethyl)-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785449

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119702079) is 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is NC(=O)COc1cccc(NC(=O)C2C3CCC(C3)C2N)c1.
What is the InChIKey of 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is HSQHVYFDUSHJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c17-13(20)8-22-12-3-1-2-11(7-12)19-16(21)14-9-4-5-10(6-9)15(14)18/h1-3,7,9-10,14-15H,4-6,8,18H2,(H2,17,20)(H,19,21).
What are the key properties of 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119702079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).