2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide

C14H20ClNO2 — CID 110767257

IUPAC2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)NCCC(C)C
InChIInChI=1S/C14H20ClNO2/c1-10(2)6-7-16-14(17)9-11-8-12(15)4-5-13(11)18-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyUJEBVLRMJQKRTE-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.05
Rot. Bonds6

About 2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide

2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide (PubChem CID 110767257) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide
PubChem CID110767257
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)NCCC(C)C
InChIInChI=1S/C14H20ClNO2/c1-10(2)6-7-16-14(17)9-11-8-12(15)4-5-13(11)18-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyUJEBVLRMJQKRTE-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 39467305
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935879
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide
CID 87018425
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide
CID 113172837
(2R)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-4-methylpentanoic acid
CID 78975845
2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide
CID 60700587
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
[2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9069508
2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444817

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide (CID 110767257) is 2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide is COc1ccc(Cl)cc1CC(=O)NCCC(C)C.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide?
The InChIKey is UJEBVLRMJQKRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(2)6-7-16-14(17)9-11-8-12(15)4-5-13(11)18-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide?
2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide has a molecular weight of 269.77 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 110767257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).