N-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide

C18H27NO3 — CID 142517104

IUPACN-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide
SMILESCCC(C)NC(=O)COc1cccc(C(=O)C(C)CC)c1C
InChIInChI=1S/C18H27NO3/c1-6-12(3)18(21)15-9-8-10-16(14(15)5)22-11-17(20)19-13(4)7-2/h8-10,12-13H,6-7,11H2,1-5H3,(H,19,20)
InChIKeyWWBODWHSXJRMTC-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.52
Rot. Bonds8

About N-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide

N-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide (PubChem CID 142517104) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide
PubChem CID142517104
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide
SMILESCCC(C)NC(=O)COc1cccc(C(=O)C(C)CC)c1C
InChIInChI=1S/C18H27NO3/c1-6-12(3)18(21)15-9-8-10-16(14(15)5)22-11-17(20)19-13(4)7-2/h8-10,12-13H,6-7,11H2,1-5H3,(H,19,20)
InChIKeyWWBODWHSXJRMTC-UHFFFAOYSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 728123
2-methyl-3-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoic acid
CID 82826951
2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
CID 50945244
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000
2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide
CID 47473943
N-[(2S)-butan-2-yl]-2-(2-methylquinolin-8-yl)oxyacetamide
CID 7701891
2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]amino]butanoic acid
CID 110837165
2-[2-(aminomethyl)-3-fluorophenoxy]-N-butan-2-ylacetamide
CID 43609214
[2-(butan-2-ylamino)-2-oxoethyl] 3-amino-2-methylbenzoate
CID 61320756
2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132651176
2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide
CID 60701053
N-butan-2-yl-2-(2-carbamothioyl-3-fluorophenoxy)acetamide
CID 43609385

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide?
The IUPAC name of N-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide (CID 142517104) is N-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide?
The canonical SMILES for N-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide is CCC(C)NC(=O)COc1cccc(C(=O)C(C)CC)c1C.
What is the InChIKey of N-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide?
The InChIKey is WWBODWHSXJRMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-6-12(3)18(21)15-9-8-10-16(14(15)5)22-11-17(20)19-13(4)7-2/h8-10,12-13H,6-7,11H2,1-5H3,(H,19,20).
What are the key properties of N-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide?
N-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide has a molecular weight of 305.42 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide is sourced from PubChem (CID 142517104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).