2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide

C16H23ClN2O3 — CID 110899477

IUPAC2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide
SMILESNC(=O)CN(CC(O)COc1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C16H23ClN2O3/c17-12-5-7-15(8-6-12)22-11-14(20)9-19(10-16(18)21)13-3-1-2-4-13/h5-8,13-14,20H,1-4,9-11H2,(H2,18,21)
InChIKeyGDQLOSDEZWGGQT-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.81
Rot. Bonds8

About 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide

2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide (PubChem CID 110899477) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide
PubChem CID110899477
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide
SMILESNC(=O)CN(CC(O)COc1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C16H23ClN2O3/c17-12-5-7-15(8-6-12)22-11-14(20)9-19(10-16(18)21)13-3-1-2-4-13/h5-8,13-14,20H,1-4,9-11H2,(H2,18,21)
InChIKeyGDQLOSDEZWGGQT-UHFFFAOYSA-N
XLogP1.81
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol
CID 111107122
2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide
CID 110902009
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781
1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 46007702
2-[cyclopentyl-[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide
CID 110899482
2-[cyclopentyl-(2-hydroxy-2-phenylethyl)amino]acetamide
CID 47284555
3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid
CID 64567098
4-[3-[cyclohexyl(2-hydroxyethyl)amino]-2-hydroxypropoxy]benzonitrile
CID 110906642
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7473337
1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 3416827
[3-(4-chlorophenoxy)-2-hydroxypropyl]urea
CID 14685227

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide?
The IUPAC name of 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide (CID 110899477) is 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide?
The canonical SMILES for 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide is NC(=O)CN(CC(O)COc1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide?
The InChIKey is GDQLOSDEZWGGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c17-12-5-7-15(8-6-12)22-11-14(20)9-19(10-16(18)21)13-3-1-2-4-13/h5-8,13-14,20H,1-4,9-11H2,(H2,18,21).
What are the key properties of 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide?
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide has a molecular weight of 326.82 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide is sourced from PubChem (CID 110899477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).