4-[1-(2-ethoxyphenyl)ethylamino]butanamide

C14H22N2O2 — CID 60864453

IUPAC4-[1-(2-ethoxyphenyl)ethylamino]butanamide
SMILESCCOc1ccccc1C(C)NCCCC(N)=O
InChIInChI=1S/C14H22N2O2/c1-3-18-13-8-5-4-7-12(13)11(2)16-10-6-9-14(15)17/h4-5,7-8,11,16H,3,6,9-10H2,1-2H3,(H2,15,17)
InChIKeyCVXXOJHRAWSGFY-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.00
Rot. Bonds8

About 4-[1-(2-ethoxyphenyl)ethylamino]butanamide

4-[1-(2-ethoxyphenyl)ethylamino]butanamide (PubChem CID 60864453) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[1-(2-ethoxyphenyl)ethylamino]butanamide.

Molecular Properties

Compound Name4-[1-(2-ethoxyphenyl)ethylamino]butanamide
PubChem CID60864453
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[1-(2-ethoxyphenyl)ethylamino]butanamide
SMILESCCOc1ccccc1C(C)NCCCC(N)=O
InChIInChI=1S/C14H22N2O2/c1-3-18-13-8-5-4-7-12(13)11(2)16-10-6-9-14(15)17/h4-5,7-8,11,16H,3,6,9-10H2,1-2H3,(H2,15,17)
InChIKeyCVXXOJHRAWSGFY-UHFFFAOYSA-N
XLogP2.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide
CID 60863199
5-[1-(2-ethoxyphenyl)ethylamino]pentan-2-ol
CID 107270389
4-[1-(2-hydroxyphenyl)ethylamino]butanamide
CID 60863382
5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol
CID 113350527
N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43203001
ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate
CID 60812252
methyl 4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butanoate
CID 81388086
3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115704472
N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715454
3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116569
3-[2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43279505
3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115890665

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethoxyphenyl)ethylamino]butanamide?
The IUPAC name of 4-[1-(2-ethoxyphenyl)ethylamino]butanamide (CID 60864453) is 4-[1-(2-ethoxyphenyl)ethylamino]butanamide.
What is the SMILES notation for 4-[1-(2-ethoxyphenyl)ethylamino]butanamide?
The canonical SMILES for 4-[1-(2-ethoxyphenyl)ethylamino]butanamide is CCOc1ccccc1C(C)NCCCC(N)=O.
What is the InChIKey of 4-[1-(2-ethoxyphenyl)ethylamino]butanamide?
The InChIKey is CVXXOJHRAWSGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-18-13-8-5-4-7-12(13)11(2)16-10-6-9-14(15)17/h4-5,7-8,11,16H,3,6,9-10H2,1-2H3,(H2,15,17).
What are the key properties of 4-[1-(2-ethoxyphenyl)ethylamino]butanamide?
4-[1-(2-ethoxyphenyl)ethylamino]butanamide has a molecular weight of 250.34 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethoxyphenyl)ethylamino]butanamide is sourced from PubChem (CID 60864453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).