N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide

C14H21NO4 — CID 78530824

IUPACN-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide
SMILESCCC(C)NC(=O)COc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H21NO4/c1-5-10(2)15-14(16)9-19-13-7-11(17-3)6-12(8-13)18-4/h6-8,10H,5,9H2,1-4H3,(H,15,16)
InChIKeyKFIOXMGYZYRMLJ-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.00
Rot. Bonds7

About N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide

N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide (PubChem CID 78530824) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide
PubChem CID78530824
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide
SMILESCCC(C)NC(=O)COc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H21NO4/c1-5-10(2)15-14(16)9-19-13-7-11(17-3)6-12(8-13)18-4/h6-8,10H,5,9H2,1-4H3,(H,15,16)
InChIKeyKFIOXMGYZYRMLJ-UHFFFAOYSA-N
XLogP2.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide
CID 107680226
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 103566043
2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide
CID 80964753
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92685210
N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8633812
2-(3,5-dimethoxyphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132654122
2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764
N-[(2R)-1-hydroxypropan-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 79031134
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072
N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78487834

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide?
The IUPAC name of N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide (CID 78530824) is N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide?
The canonical SMILES for N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide is CCC(C)NC(=O)COc1cc(OC)cc(OC)c1.
What is the InChIKey of N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide?
The InChIKey is KFIOXMGYZYRMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-5-10(2)15-14(16)9-19-13-7-11(17-3)6-12(8-13)18-4/h6-8,10H,5,9H2,1-4H3,(H,15,16).
What are the key properties of N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide?
N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide has a molecular weight of 267.32 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide is sourced from PubChem (CID 78530824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).