3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C18H27ClN2O3 — CID 119691798

IUPAC3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCOc1ccc(OC)c(C(C)NC(=O)C2C3CCC(C3)C2N)c1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-10(14-9-13(22-2)6-7-15(14)23-3)20-18(21)16-11-4-5-12(8-11)17(16)19;/h6-7,9-12,16-17H,4-5,8,19H2,1-3H3,(H,20,21);1H
InChIKeyOKDNHFVOMAKYLO-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.68
Rot. Bonds5

About 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119691798) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119691798
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCOc1ccc(OC)c(C(C)NC(=O)C2C3CCC(C3)C2N)c1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-10(14-9-13(22-2)6-7-15(14)23-3)20-18(21)16-11-4-5-12(8-11)17(16)19;/h6-7,9-12,16-17H,4-5,8,19H2,1-3H3,(H,20,21);1H
InChIKeyOKDNHFVOMAKYLO-UHFFFAOYSA-N
XLogP2.68
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119691799
3-amino-N-[1-(2-bromophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686134
9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986441
(2S,4R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxopiperidine-4-carboxamide
CID 97262168
3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119669695
(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119691813
N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119272446
3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119725350
3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119778488
3-amino-N-[1-(4-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119705788
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55566682
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 9194243

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119691798) is 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is COc1ccc(OC)c(C(C)NC(=O)C2C3CCC(C3)C2N)c1.Cl.
What is the InChIKey of 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is OKDNHFVOMAKYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-10(14-9-13(22-2)6-7-15(14)23-3)20-18(21)16-11-4-5-12(8-11)17(16)19;/h6-7,9-12,16-17H,4-5,8,19H2,1-3H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119691798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).