3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C18H27ClN2O3 — CID 119725350

IUPAC3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCOc1ccc(OC(C)CNC(=O)C2C3CCC(C3)C2N)cc1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-11(23-15-7-5-14(22-2)6-8-15)10-20-18(21)16-12-3-4-13(9-12)17(16)19;/h5-8,11-13,16-17H,3-4,9-10,19H2,1-2H3,(H,20,21);1H
InChIKeyUWXAKXFMPJWKMP-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.37
Rot. Bonds6

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

3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119725350) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119725350
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCOc1ccc(OC(C)CNC(=O)C2C3CCC(C3)C2N)cc1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-11(23-15-7-5-14(22-2)6-8-15)10-20-18(21)16-12-3-4-13(9-12)17(16)19;/h5-8,11-13,16-17H,3-4,9-10,19H2,1-2H3,(H,20,21);1H
InChIKeyUWXAKXFMPJWKMP-UHFFFAOYSA-N
XLogP2.37
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(2-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119804798
3-amino-N-[2-(3-chlorophenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119807110
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119689643
3-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119776062
9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991264
methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride
CID 119786318
3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119691798
3-amino-N-(2-cyclopropylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266414
3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119691799
3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119819932
3-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119778877
3-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119820025

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119725350) is 3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is COc1ccc(OC(C)CNC(=O)C2C3CCC(C3)C2N)cc1.Cl.
What is the InChIKey of 3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is UWXAKXFMPJWKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-11(23-15-7-5-14(22-2)6-8-15)10-20-18(21)16-12-3-4-13(9-12)17(16)19;/h5-8,11-13,16-17H,3-4,9-10,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119725350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).