2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide

C17H27ClN2O2 — CID 18160697

IUPAC2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NCCN(C(C)C)C(C)C)c1
InChIInChI=1S/C17H27ClN2O2/c1-12(2)20(13(3)4)9-8-19-17(21)11-22-16-10-14(5)6-7-15(16)18/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,19,21)
InChIKeyYGKKMNAVMFRBSB-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.26
Rot. Bonds8

About 2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide

2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide (PubChem CID 18160697) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
PubChem CID18160697
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NCCN(C(C)C)C(C)C)c1
InChIInChI=1S/C17H27ClN2O2/c1-12(2)20(13(3)4)9-8-19-17(21)11-22-16-10-14(5)6-7-15(16)18/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,19,21)
InChIKeyYGKKMNAVMFRBSB-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031935
2-(2-chloro-5-methylphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2677051
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539
2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771426
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 19165328
methyl 2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-3-methylbutanoate
CID 17393717
5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 82010449
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]butanoic acid
CID 43387304
2-(2-chloro-5-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726337
2-(2-chloro-5-methylphenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 24550405
2-(2-chloro-5-methylphenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103801265

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide (CID 18160697) is 2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide is Cc1ccc(Cl)c(OCC(=O)NCCN(C(C)C)C(C)C)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The InChIKey is YGKKMNAVMFRBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O2/c1-12(2)20(13(3)4)9-8-19-17(21)11-22-16-10-14(5)6-7-15(16)18/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,19,21).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide has a molecular weight of 326.87 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 18160697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).