2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide

C18H21ClN2O3 — CID 110888444

IUPAC2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide
SMILESCN(CC(=O)Nc1ccccc1)CC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3/c1-21(12-18(23)20-15-5-3-2-4-6-15)11-16(22)13-24-17-9-7-14(19)8-10-17/h2-10,16,22H,11-13H2,1H3,(H,20,23)
InChIKeyOTCVQGZQPBIUIP-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.65
Rot. Bonds8

About 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide

2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide (PubChem CID 110888444) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide
PubChem CID110888444
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide
SMILESCN(CC(=O)Nc1ccccc1)CC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3/c1-21(12-18(23)20-15-5-3-2-4-6-15)11-16(22)13-24-17-9-7-14(19)8-10-17/h2-10,16,22H,11-13H2,1H3,(H,20,23)
InChIKeyOTCVQGZQPBIUIP-UHFFFAOYSA-N
XLogP2.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide
CID 110888449
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
CID 62016324
N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide
CID 110898643
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide
CID 112820790
methyl 2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)acetate
CID 12801053
2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)-N-propan-2-ylacetamide
CID 12801064
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 9040068
2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 55471279
2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32530996
N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide
CID 110882203
4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
CID 9252422

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide?
The IUPAC name of 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide (CID 110888444) is 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide?
The canonical SMILES for 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide is CN(CC(=O)Nc1ccccc1)CC(O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide?
The InChIKey is OTCVQGZQPBIUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-21(12-18(23)20-15-5-3-2-4-6-15)11-16(22)13-24-17-9-7-14(19)8-10-17/h2-10,16,22H,11-13H2,1H3,(H,20,23).
What are the key properties of 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide?
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide has a molecular weight of 348.83 g/mol, XLogP of 2.65, 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]-methylamino]-N-phenylacetamide is sourced from PubChem (CID 110888444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).