N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide

C16H26N2O2 — CID 63639767

IUPACN-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
SMILESCCC(C)NC(=O)COc1cc(C)ccc1C(C)NC
InChIInChI=1S/C16H26N2O2/c1-6-12(3)18-16(19)10-20-15-9-11(2)7-8-14(15)13(4)17-5/h7-9,12-13,17H,6,10H2,1-5H3,(H,18,19)
InChIKeyKDHNSSGAJBGTQB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.57
Rot. Bonds7

About N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide

N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide (PubChem CID 63639767) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
PubChem CID63639767
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
SMILESCCC(C)NC(=O)COc1cc(C)ccc1C(C)NC
InChIInChI=1S/C16H26N2O2/c1-6-12(3)18-16(19)10-20-15-9-11(2)7-8-14(15)13(4)17-5/h7-9,12-13,17H,6,10H2,1-5H3,(H,18,19)
InChIKeyKDHNSSGAJBGTQB-UHFFFAOYSA-N
XLogP2.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63638956
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539
N-(2-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639941
N-cyclopropyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639605
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
CID 61486793
2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide
CID 60701053
2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
CID 63651841
N,N-dimethyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639445
2-(2-amino-4-methylphenoxy)-N-butan-2-ylacetamide
CID 61311273
1-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 63639272
N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide
CID 107716470
N-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 63638936

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide?
The IUPAC name of N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide (CID 63639767) is N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide?
The canonical SMILES for N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide is CCC(C)NC(=O)COc1cc(C)ccc1C(C)NC.
What is the InChIKey of N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide?
The InChIKey is KDHNSSGAJBGTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-12(3)18-16(19)10-20-15-9-11(2)7-8-14(15)13(4)17-5/h7-9,12-13,17H,6,10H2,1-5H3,(H,18,19).
What are the key properties of N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide?
N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.57, 7 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-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide is sourced from PubChem (CID 63639767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).