2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide

C19H29ClN2O3 — CID 4721368

IUPAC2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide
SMILESCCOc1cc(CNC2CCCCCCC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C19H29ClN2O3/c1-2-24-17-11-14(10-16(20)19(17)25-13-18(21)23)12-22-15-8-6-4-3-5-7-9-15/h10-11,15,22H,2-9,12-13H2,1H3,(H2,21,23)
InChIKeyFGBSEVFTSNYPMH-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.81
Rot. Bonds8

About 2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide

2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide (PubChem CID 4721368) has the molecular formula C19H29ClN2O3 and a molecular weight of 368.91 g/mol. Its IUPAC name is 2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide
PubChem CID4721368
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91 g/mol
Exact Mass368.19
IUPAC Name2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide
SMILESCCOc1cc(CNC2CCCCCCC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C19H29ClN2O3/c1-2-24-17-11-14(10-16(20)19(17)25-13-18(21)23)12-22-15-8-6-4-3-5-7-9-15/h10-11,15,22H,2-9,12-13H2,1H3,(H2,21,23)
InChIKeyFGBSEVFTSNYPMH-UHFFFAOYSA-N
XLogP3.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]acetamide
CID 4720829
N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17295895
N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine
CID 4717339
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 2962391
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine
CID 29226592
2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
CID 119163902
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclohexanamine
CID 4721597
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine;hydrochloride
CID 17289730
2-[2-chloro-6-ethoxy-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenoxy]acetamide
CID 964295
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331560
2-[2-chloro-6-ethoxy-4-[[3-(methylamino)propylamino]methyl]phenoxy]acetamide
CID 4720831

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide (CID 4721368) is 2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide is CCOc1cc(CNC2CCCCCCC2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide?
The InChIKey is FGBSEVFTSNYPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O3/c1-2-24-17-11-14(10-16(20)19(17)25-13-18(21)23)12-22-15-8-6-4-3-5-7-9-15/h10-11,15,22H,2-9,12-13H2,1H3,(H2,21,23).
What are the key properties of 2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide?
2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide has a molecular weight of 368.91 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide is sourced from PubChem (CID 4721368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).