4-(3-ethylphenoxy)butanamide

C12H17NO2 — CID 82040637

IUPAC4-(3-ethylphenoxy)butanamide
SMILESCCc1cccc(OCCCC(N)=O)c1
InChIInChI=1S/C12H17NO2/c1-2-10-5-3-6-11(9-10)15-8-4-7-12(13)14/h3,5-6,9H,2,4,7-8H2,1H3,(H2,13,14)
InChIKeyVDKYAYWSNSSALD-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.89
Rot. Bonds6

About 4-(3-ethylphenoxy)butanamide

4-(3-ethylphenoxy)butanamide (PubChem CID 82040637) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(3-ethylphenoxy)butanamide.

Molecular Properties

Compound Name4-(3-ethylphenoxy)butanamide
PubChem CID82040637
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(3-ethylphenoxy)butanamide
SMILESCCc1cccc(OCCCC(N)=O)c1
InChIInChI=1S/C12H17NO2/c1-2-10-5-3-6-11(9-10)15-8-4-7-12(13)14/h3,5-6,9H,2,4,7-8H2,1H3,(H2,13,14)
InChIKeyVDKYAYWSNSSALD-UHFFFAOYSA-N
XLogP1.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(hydroxymethyl)phenoxy]butanamide
CID 123197567
4-(3-pentadecylphenoxy)butanamide
CID 22354511
4-(3-ethylphenoxy)butanimidamide
CID 24704166
3-(3-ethylphenoxy)propanehydrazide
CID 63575003
5-(3-ethylphenoxy)-N'-hydroxypentanimidamide
CID 54965601
propyl 2-(3-ethylphenoxy)acetate
CID 71628037
3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
7-(3-ethylphenoxy)-N-hydroxyheptanamide
CID 39364757
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
3-(3-ethylphenoxy)-1-phenylpropan-1-one
CID 116692020
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenoxy)butanamide?
The IUPAC name of 4-(3-ethylphenoxy)butanamide (CID 82040637) is 4-(3-ethylphenoxy)butanamide.
What is the SMILES notation for 4-(3-ethylphenoxy)butanamide?
The canonical SMILES for 4-(3-ethylphenoxy)butanamide is CCc1cccc(OCCCC(N)=O)c1.
What is the InChIKey of 4-(3-ethylphenoxy)butanamide?
The InChIKey is VDKYAYWSNSSALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-10-5-3-6-11(9-10)15-8-4-7-12(13)14/h3,5-6,9H,2,4,7-8H2,1H3,(H2,13,14).
What are the key properties of 4-(3-ethylphenoxy)butanamide?
4-(3-ethylphenoxy)butanamide has a molecular weight of 207.27 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenoxy)butanamide is sourced from PubChem (CID 82040637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).