3-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide

C18H25N3O4 — CID 119820025

IUPAC3-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1cc(NC(=O)CNC(=O)C2C3CCC(C3)C2N)cc(OC)c1
InChIInChI=1S/C18H25N3O4/c1-24-13-6-12(7-14(8-13)25-2)21-15(22)9-20-18(23)16-10-3-4-11(5-10)17(16)19/h6-8,10-11,16-17H,3-5,9,19H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNGQHKFOSXGTUKQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.13
Rot. Bonds6

About 3-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119820025) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119820025
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name3-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1cc(NC(=O)CNC(=O)C2C3CCC(C3)C2N)cc(OC)c1
InChIInChI=1S/C18H25N3O4/c1-24-13-6-12(7-14(8-13)25-2)21-15(22)9-20-18(23)16-10-3-4-11(5-10)17(16)19/h6-8,10-11,16-17H,3-5,9,19H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNGQHKFOSXGTUKQ-UHFFFAOYSA-N
XLogP1.13
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119778877
3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119692045
3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119725350
3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119729065
3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726704
3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119785792
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119820030
3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119723456
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 7772878
3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119697295
3-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119800089
3-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119708873

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119820025) is 3-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide is COc1cc(NC(=O)CNC(=O)C2C3CCC(C3)C2N)cc(OC)c1.
What is the InChIKey of 3-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is NGQHKFOSXGTUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-13-6-12(7-14(8-13)25-2)21-15(22)9-20-18(23)16-10-3-4-11(5-10)17(16)19/h6-8,10-11,16-17H,3-5,9,19H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119820025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).