3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

C18H26N2O2 — CID 119772874

IUPAC3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCOc1ccccc1CCNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C18H26N2O2/c1-2-22-15-6-4-3-5-12(15)9-10-20-18(21)16-13-7-8-14(11-13)17(16)19/h3-6,13-14,16-17H,2,7-11,19H2,1H3,(H,20,21)
InChIKeyBPELNOKRWBNNHR-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.12
Rot. Bonds6

About 3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119772874) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119772874
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCOc1ccccc1CCNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C18H26N2O2/c1-2-22-15-6-4-3-5-12(15)9-10-20-18(21)16-13-7-8-14(11-13)17(16)19/h3-6,13-14,16-17H,2,7-11,19H2,1H3,(H,20,21)
InChIKeyBPELNOKRWBNNHR-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988860
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119677375
3-amino-N-(2-naphthalen-1-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119722507
(1S,2S,3R,4S)-3-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 124865231
3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119786388
3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119779424
N-[2-(2-ethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119772912
3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700360
3-amino-N-[2-(3-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119745498
3-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119778877
3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119774512
3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119694948

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119772874) is 3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is CCOc1ccccc1CCNC(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is BPELNOKRWBNNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-22-15-6-4-3-5-12(15)9-10-20-18(21)16-13-7-8-14(11-13)17(16)19/h3-6,13-14,16-17H,2,7-11,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119772874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).