N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide

C18H25ClN2O3 — CID 18119826

IUPACN-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C18H25ClN2O3/c1-21(10-11-24-16-9-5-8-15(19)12-16)17(22)13-20-18(23)14-6-3-2-4-7-14/h5,8-9,12,14H,2-4,6-7,10-11,13H2,1H3,(H,20,23)
InChIKeyXOERHLGPFAICQJ-UHFFFAOYSA-N
MW352.86 g/mol
LogP2.87
Rot. Bonds7

About N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 18119826) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID18119826
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC NameN-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C18H25ClN2O3/c1-21(10-11-24-16-9-5-8-15(19)12-16)17(22)13-20-18(23)14-6-3-2-4-7-14/h5,8-9,12,14H,2-4,6-7,10-11,13H2,1H3,(H,20,23)
InChIKeyXOERHLGPFAICQJ-UHFFFAOYSA-N
XLogP2.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide
CID 119739733
1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea
CID 119071979
N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 60938135
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 18094726
N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067634
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
2-(cyclopropylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 54872517
N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide
CID 55480704
methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954669
3-chloro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 31643505
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide (CID 18119826) is N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide is CN(CCOc1cccc(Cl)c1)C(=O)CNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is XOERHLGPFAICQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-21(10-11-24-16-9-5-8-15(19)12-16)17(22)13-20-18(23)14-6-3-2-4-7-14/h5,8-9,12,14H,2-4,6-7,10-11,13H2,1H3,(H,20,23).
What are the key properties of N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 352.86 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 18119826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).