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

C21H24N2O3 — CID 119697295

IUPAC3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1
InChIInChI=1S/C21H24N2O3/c1-25-17-4-2-3-5-18(17)26-16-10-8-15(9-11-16)23-21(24)19-13-6-7-14(12-13)20(19)22/h2-5,8-11,13-14,19-20H,6-7,12,22H2,1H3,(H,23,24)
InChIKeyZCFCIBLCFTYHLP-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.80
Rot. Bonds5

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

3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119697295) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119697295
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1
InChIInChI=1S/C21H24N2O3/c1-25-17-4-2-3-5-18(17)26-16-10-8-15(9-11-16)23-21(24)19-13-6-7-14(12-13)20(19)22/h2-5,8-11,13-14,19-20H,6-7,12,22H2,1H3,(H,23,24)
InChIKeyZCFCIBLCFTYHLP-UHFFFAOYSA-N
XLogP3.80
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119672844
3-amino-N-[4-(phenylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756435
(1R,2S,4S,5R,6S,7R)-7-[[4-(2-methoxyphenoxy)phenyl]carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 98280482
N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 119275432
3-amino-N-[2-(2-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119804798
N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 42889996
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
3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119684897
3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119723456
(1S,2R,4R,5S)-N-(4-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98237630
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119702079

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119697295) is 3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is COc1ccccc1Oc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1.
What is the InChIKey of 3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ZCFCIBLCFTYHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-17-4-2-3-5-18(17)26-16-10-8-15(9-11-16)23-21(24)19-13-6-7-14(12-13)20(19)22/h2-5,8-11,13-14,19-20H,6-7,12,22H2,1H3,(H,23,24).
What are the key properties of 3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119697295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).