N-ethyl-4-phenoxy-N-prop-2-enylbutanamide

C15H21NO2 — CID 84558793

IUPACN-ethyl-4-phenoxy-N-prop-2-enylbutanamide
SMILESC=CCN(CC)C(=O)CCCOc1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-12-16(4-2)15(17)11-8-13-18-14-9-6-5-7-10-14/h3,5-7,9-10H,1,4,8,11-13H2,2H3
InChIKeyXSIDEDUNJAASKF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.88
Rot. Bonds8

About N-ethyl-4-phenoxy-N-prop-2-enylbutanamide

N-ethyl-4-phenoxy-N-prop-2-enylbutanamide (PubChem CID 84558793) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-ethyl-4-phenoxy-N-prop-2-enylbutanamide.

Molecular Properties

Compound NameN-ethyl-4-phenoxy-N-prop-2-enylbutanamide
PubChem CID84558793
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-ethyl-4-phenoxy-N-prop-2-enylbutanamide
SMILESC=CCN(CC)C(=O)CCCOc1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-12-16(4-2)15(17)11-8-13-18-14-9-6-5-7-10-14/h3,5-7,9-10H,1,4,8,11-13H2,2H3
InChIKeyXSIDEDUNJAASKF-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate
CID 61383353
N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine
CID 141046921
3-[ethyl-[4-(4-fluorophenoxy)butanoyl]amino]propanoic acid
CID 61006801
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide
CID 25161505
[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide
CID 45261576
3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide
CID 61117568
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767
2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid
CID 62033173
N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 82354393
2-[ethyl-[4-(3-methylphenoxy)butanoyl]amino]acetic acid
CID 61022486
2-[2-(2-phenoxyethoxy)anilino]-N,N-bis(prop-2-enyl)acetamide
CID 54827057
[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone
CID 10981049

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-phenoxy-N-prop-2-enylbutanamide?
The IUPAC name of N-ethyl-4-phenoxy-N-prop-2-enylbutanamide (CID 84558793) is N-ethyl-4-phenoxy-N-prop-2-enylbutanamide.
What is the SMILES notation for N-ethyl-4-phenoxy-N-prop-2-enylbutanamide?
The canonical SMILES for N-ethyl-4-phenoxy-N-prop-2-enylbutanamide is C=CCN(CC)C(=O)CCCOc1ccccc1.
What is the InChIKey of N-ethyl-4-phenoxy-N-prop-2-enylbutanamide?
The InChIKey is XSIDEDUNJAASKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-12-16(4-2)15(17)11-8-13-18-14-9-6-5-7-10-14/h3,5-7,9-10H,1,4,8,11-13H2,2H3.
What are the key properties of N-ethyl-4-phenoxy-N-prop-2-enylbutanamide?
N-ethyl-4-phenoxy-N-prop-2-enylbutanamide has a molecular weight of 247.34 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-phenoxy-N-prop-2-enylbutanamide is sourced from PubChem (CID 84558793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).