2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide

C15H23ClN2O3 — CID 103839500

IUPAC2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C15H23ClN2O3/c1-11-7-12(16)5-6-13(11)21-8-14(19)17-9-15(2,20)10-18(3)4/h5-7,20H,8-10H2,1-4H3,(H,17,19)
InChIKeyNTFJEEFWRDDPND-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.46
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide (PubChem CID 103839500) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
PubChem CID103839500
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C15H23ClN2O3/c1-11-7-12(16)5-6-13(11)21-8-14(19)17-9-15(2,20)10-18(3)4/h5-7,20H,8-10H2,1-4H3,(H,17,19)
InChIKeyNTFJEEFWRDDPND-UHFFFAOYSA-N
XLogP1.46
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide
CID 103712881
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-methylphenoxy)acetamide
CID 103839647
2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 103839864
3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839553
2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114245
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide
CID 103839511
2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 4805018
2-(4-chloro-2-methylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115869894
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910
2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide (CID 103839500) is 2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NCC(C)(O)CN(C)C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide?
The InChIKey is NTFJEEFWRDDPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-11-7-12(16)5-6-13(11)21-8-14(19)17-9-15(2,20)10-18(3)4/h5-7,20H,8-10H2,1-4H3,(H,17,19).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide has a molecular weight of 314.81 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide is sourced from PubChem (CID 103839500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).