N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide

C15H23ClN2O2 — CID 43277958

IUPACN-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide
SMILESCCNCc1cc(Cl)ccc1OCC(=O)NC(C)CC
InChIInChI=1S/C15H23ClN2O2/c1-4-11(3)18-15(19)10-20-14-7-6-13(16)8-12(14)9-17-5-2/h6-8,11,17H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyGUWBTYJFFUHBQY-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.74
Rot. Bonds8

About N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide

N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide (PubChem CID 43277958) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide
PubChem CID43277958
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide
SMILESCCNCc1cc(Cl)ccc1OCC(=O)NC(C)CC
InChIInChI=1S/C15H23ClN2O2/c1-4-11(3)18-15(19)10-20-14-7-6-13(16)8-12(14)9-17-5-2/h6-8,11,17H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyGUWBTYJFFUHBQY-UHFFFAOYSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide
CID 43277522
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide
CID 60908333
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
CID 7167702
2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 42904332
methyl 2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-5-chlorobenzoate
CID 94172138
2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide
CID 62305337
2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide
CID 107695704
N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708257
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2621932
2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-cyanoethyl)acetamide
CID 60882577
(E)-3-[2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorophenyl]prop-2-enoic acid
CID 43324972

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide (CID 43277958) is N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide is CCNCc1cc(Cl)ccc1OCC(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide?
The InChIKey is GUWBTYJFFUHBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-4-11(3)18-15(19)10-20-14-7-6-13(16)8-12(14)9-17-5-2/h6-8,11,17H,4-5,9-10H2,1-3H3,(H,18,19).
What are the key properties of N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide?
N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide has a molecular weight of 298.81 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide is sourced from PubChem (CID 43277958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).