N-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride

C18H27ClN2O2 — CID 2986947

IUPACN-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESC=CCNCc1ccccc1OCC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-2-12-19-13-15-8-6-7-11-17(15)22-14-18(21)20-16-9-4-3-5-10-16;/h2,6-8,11,16,19H,1,3-5,9-10,12-14H2,(H,20,21);1H
InChIKeyUBBWTRFJLMLSJE-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.21
Rot. Bonds8

About N-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride

N-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 2986947) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID2986947
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESC=CCNCc1ccccc1OCC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-2-12-19-13-15-8-6-7-11-17(15)22-14-18(21)20-16-9-4-3-5-10-16;/h2,6-8,11,16,19H,1,3-5,9-10,12-14H2,(H,20,21);1H
InChIKeyUBBWTRFJLMLSJE-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(2-prop-2-enylphenoxy)acetamide
CID 1406994
N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 62548783
N-cyclopropyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277196
N-cyclopropyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277358
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 106484672
N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
2-(2-acetamidophenoxy)-N-cyclooctylacetamide
CID 17457791
2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide
CID 62573467
N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 2687934
N-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide
CID 43985294
2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide
CID 43186044

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of N-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride (CID 2986947) is N-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride is C=CCNCc1ccccc1OCC(=O)NC1CCCCC1.Cl.
What is the InChIKey of N-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is UBBWTRFJLMLSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-2-12-19-13-15-8-6-7-11-17(15)22-14-18(21)20-16-9-4-3-5-10-16;/h2,6-8,11,16,19H,1,3-5,9-10,12-14H2,(H,20,21);1H.
What are the key properties of N-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride?
N-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 2986947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).