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

C18H26N2O3 — CID 119691799

IUPAC3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)C2C3CCC(C3)C2N)c1
InChIInChI=1S/C18H26N2O3/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)
InChIKeyIJQBTSVSNCYMJP-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.25
Rot. Bonds5

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

3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119691799) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119691799
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)C2C3CCC(C3)C2N)c1
InChIInChI=1S/C18H26N2O3/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)
InChIKeyIJQBTSVSNCYMJP-UHFFFAOYSA-N
XLogP2.25
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119691798
3-amino-N-[1-(2-bromophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686134
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 9194243
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
N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119272446
(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119691813
[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] adamantane-2-carboxylate
CID 9339604
1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 42928160
3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119725350
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55566682

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119691799) is 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is COc1ccc(OC)c(C(C)NC(=O)C2C3CCC(C3)C2N)c1.
What is the InChIKey of 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is IJQBTSVSNCYMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/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).
What are the key properties of 3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.25, 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 is sourced from PubChem (CID 119691799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).