N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide

C16H25NO3 — CID 86907760

IUPACN-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide
SMILESCCCCN(C)C(=O)COc1ccc(OCCC)cc1
InChIInChI=1S/C16H25NO3/c1-4-6-11-17(3)16(18)13-20-15-9-7-14(8-10-15)19-12-5-2/h7-10H,4-6,11-13H2,1-3H3
InChIKeyPVLUTHDOHUTJSS-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.11
Rot. Bonds9

About N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide

N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide (PubChem CID 86907760) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide
PubChem CID86907760
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide
SMILESCCCCN(C)C(=O)COc1ccc(OCCC)cc1
InChIInChI=1S/C16H25NO3/c1-4-6-11-17(3)16(18)13-20-15-9-7-14(8-10-15)19-12-5-2/h7-10H,4-6,11-13H2,1-3H3
InChIKeyPVLUTHDOHUTJSS-UHFFFAOYSA-N
XLogP3.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
CID 110487595
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 119652613
N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43254054
N-(furan-2-ylmethyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 112775334
N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 112792298
N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide
CID 56827978
N,N-dibutyl-2-phenoxyacetamide
CID 4074500
2-(4-butoxyphenoxy)acetamide
CID 22974475
2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide
CID 61126914
N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 86909745
2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide
CID 142802550
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide?
The IUPAC name of N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide (CID 86907760) is N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide?
The canonical SMILES for N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide is CCCCN(C)C(=O)COc1ccc(OCCC)cc1.
What is the InChIKey of N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide?
The InChIKey is PVLUTHDOHUTJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-6-11-17(3)16(18)13-20-15-9-7-14(8-10-15)19-12-5-2/h7-10H,4-6,11-13H2,1-3H3.
What are the key properties of N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide?
N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide has a molecular weight of 279.38 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide is sourced from PubChem (CID 86907760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).