N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide

C14H21NO3 — CID 113099793

IUPACN-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
SMILESCOc1cccc(OCCNC(=O)CC(C)C)c1
InChIInChI=1S/C14H21NO3/c1-11(2)9-14(16)15-7-8-18-13-6-4-5-12(10-13)17-3/h4-6,10-11H,7-9H2,1-3H3,(H,15,16)
InChIKeyVTQKWPYGCVHZEW-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.24
Rot. Bonds7

About N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide

N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide (PubChem CID 113099793) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
PubChem CID113099793
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
SMILESCOc1cccc(OCCNC(=O)CC(C)C)c1
InChIInChI=1S/C14H21NO3/c1-11(2)9-14(16)15-7-8-18-13-6-4-5-12(10-13)17-3/h4-6,10-11H,7-9H2,1-3H3,(H,15,16)
InChIKeyVTQKWPYGCVHZEW-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 46449388
N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119797678
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide
CID 113100718
3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101536
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
N-[2-(3-ethoxyphenoxy)ethyl]propanamide
CID 113100561
3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 55831044
(2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100509267

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide (CID 113099793) is N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide is COc1cccc(OCCNC(=O)CC(C)C)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide?
The InChIKey is VTQKWPYGCVHZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)9-14(16)15-7-8-18-13-6-4-5-12(10-13)17-3/h4-6,10-11H,7-9H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide?
N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide is sourced from PubChem (CID 113099793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).