3-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

C20H30N2O3 — CID 119811342

IUPAC3-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCOCCOc1cc(C)ccc1CNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C20H30N2O3/c1-3-24-8-9-25-17-10-13(2)4-5-16(17)12-22-20(23)18-14-6-7-15(11-14)19(18)21/h4-5,10,14-15,18-19H,3,6-9,11-12,21H2,1-2H3,(H,22,23)
InChIKeyCMDFDTAJCCCHPO-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.40
Rot. Bonds8

About 3-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119811342) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119811342
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name3-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCOCCOc1cc(C)ccc1CNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C20H30N2O3/c1-3-24-8-9-25-17-10-13(2)4-5-16(17)12-22-20(23)18-14-6-7-15(11-14)19(18)21/h4-5,10,14-15,18-19H,3,6-9,11-12,21H2,1-2H3,(H,22,23)
InChIKeyCMDFDTAJCCCHPO-UHFFFAOYSA-N
XLogP2.40
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119811481
3-amino-N-[(2,4-dimethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119715901
N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide
CID 119339437
3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119812538
1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119339438
4-[[2-(2-ethoxyethoxy)-4-methylphenyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122005886
3-amino-N-(4-ethoxybutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119722400
trans-(1R,2R)-2-[(2-ethoxy-4-methylphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 129402486
3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103808876
3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119772874
3-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119708873
(2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637313

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119811342) is 3-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is CCOCCOc1cc(C)ccc1CNC(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CMDFDTAJCCCHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-24-8-9-25-17-10-13(2)4-5-16(17)12-22-20(23)18-14-6-7-15(11-14)19(18)21/h4-5,10,14-15,18-19H,3,6-9,11-12,21H2,1-2H3,(H,22,23).
What are the key properties of 3-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119811342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).