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

C17H27ClN2O2 — CID 39467305

IUPAC2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C17H27ClN2O2/c1-12(2)20(13(3)4)9-8-19-17(21)11-14-10-15(18)6-7-16(14)22-5/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,19,21)
InChIKeyJLTCDERAEMEAIQ-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.13
Rot. Bonds8

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

2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide (PubChem CID 39467305) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
PubChem CID39467305
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C17H27ClN2O2/c1-12(2)20(13(3)4)9-8-19-17(21)11-14-10-15(18)6-7-16(14)22-5/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,19,21)
InChIKeyJLTCDERAEMEAIQ-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 110767257
2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935879
N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide
CID 34819371
2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65312632
2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 86990582
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide
CID 87018425
5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide
CID 60706871
2-(5-chloro-2-methoxyphenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 9069509
2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444817
1-[(5-chloro-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 47216838
N-(2-amino-2-ethylbutyl)-2-(5-chloro-2-methoxyphenyl)acetamide
CID 119639672
(2R)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-4-methylpentanoic acid
CID 78975845

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide (CID 39467305) is 2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide is COc1ccc(Cl)cc1CC(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The InChIKey is JLTCDERAEMEAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O2/c1-12(2)20(13(3)4)9-8-19-17(21)11-14-10-15(18)6-7-16(14)22-5/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,19,21).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide has a molecular weight of 326.87 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 39467305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).