N-(butylcarbamoyl)-2-(2,3,5-trimethylphenoxy)acetamide

C16H24N2O3 — CID 9355065

IUPACN-(butylcarbamoyl)-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCCCCNC(=O)NC(=O)COc1cc(C)cc(C)c1C
InChIInChI=1S/C16H24N2O3/c1-5-6-7-17-16(20)18-15(19)10-21-14-9-11(2)8-12(3)13(14)4/h8-9H,5-7,10H2,1-4H3,(H2,17,18,19,20)
InChIKeyMSUVALIIWAGPKM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.62
Rot. Bonds6

About N-(butylcarbamoyl)-2-(2,3,5-trimethylphenoxy)acetamide

N-(butylcarbamoyl)-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 9355065) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID9355065
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(butylcarbamoyl)-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCCCCNC(=O)NC(=O)COc1cc(C)cc(C)c1C
InChIInChI=1S/C16H24N2O3/c1-5-6-7-17-16(20)18-15(19)10-21-14-9-11(2)8-12(3)13(14)4/h8-9H,5-7,10H2,1-4H3,(H2,17,18,19,20)
InChIKeyMSUVALIIWAGPKM-UHFFFAOYSA-N
XLogP2.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
N-(butylcarbamoyl)-2-(4-ethoxyphenoxy)acetamide
CID 9353681
4-methyl-3-[2-oxo-2-(propylcarbamoylamino)ethoxy]benzoic acid
CID 60698853
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid
CID 43214758
N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 2184720
2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide
CID 9138041
N-butyl-2-[(3-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 132709997
N-(butylcarbamoyl)-2-(4-chloro-2-nitrophenoxy)acetamide
CID 27457451
2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide
CID 9353794
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide
CID 7893813
N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119405735

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-(2,3,5-trimethylphenoxy)acetamide (CID 9355065) is N-(butylcarbamoyl)-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-(2,3,5-trimethylphenoxy)acetamide is CCCCNC(=O)NC(=O)COc1cc(C)cc(C)c1C.
What is the InChIKey of N-(butylcarbamoyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is MSUVALIIWAGPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-6-7-17-16(20)18-15(19)10-21-14-9-11(2)8-12(3)13(14)4/h8-9H,5-7,10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of N-(butylcarbamoyl)-2-(2,3,5-trimethylphenoxy)acetamide?
N-(butylcarbamoyl)-2-(2,3,5-trimethylphenoxy)acetamide has a molecular weight of 292.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 9355065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).