4-[(2-prop-2-enoxyphenyl)methylamino]butanamide

C14H20N2O2 — CID 60865208

IUPAC4-[(2-prop-2-enoxyphenyl)methylamino]butanamide
SMILESC=CCOc1ccccc1CNCCCC(N)=O
InChIInChI=1S/C14H20N2O2/c1-2-10-18-13-7-4-3-6-12(13)11-16-9-5-8-14(15)17/h2-4,6-7,16H,1,5,8-11H2,(H2,15,17)
InChIKeyYYLHKFGUARUWHK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.61
Rot. Bonds9

About 4-[(2-prop-2-enoxyphenyl)methylamino]butanamide

4-[(2-prop-2-enoxyphenyl)methylamino]butanamide (PubChem CID 60865208) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(2-prop-2-enoxyphenyl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(2-prop-2-enoxyphenyl)methylamino]butanamide
PubChem CID60865208
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[(2-prop-2-enoxyphenyl)methylamino]butanamide
SMILESC=CCOc1ccccc1CNCCCC(N)=O
InChIInChI=1S/C14H20N2O2/c1-2-10-18-13-7-4-3-6-12(13)11-16-9-5-8-14(15)17/h2-4,6-7,16H,1,5,8-11H2,(H2,15,17)
InChIKeyYYLHKFGUARUWHK-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate
CID 83211974
4-[(2-methoxyphenyl)methylamino]butanamide
CID 60863188
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54935293
N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 115581406
N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine
CID 103701789
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine
CID 115491359
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 61170859
1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 111116921
3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 2214046

Frequently Asked Questions

What is the IUPAC name of 4-[(2-prop-2-enoxyphenyl)methylamino]butanamide?
The IUPAC name of 4-[(2-prop-2-enoxyphenyl)methylamino]butanamide (CID 60865208) is 4-[(2-prop-2-enoxyphenyl)methylamino]butanamide.
What is the SMILES notation for 4-[(2-prop-2-enoxyphenyl)methylamino]butanamide?
The canonical SMILES for 4-[(2-prop-2-enoxyphenyl)methylamino]butanamide is C=CCOc1ccccc1CNCCCC(N)=O.
What is the InChIKey of 4-[(2-prop-2-enoxyphenyl)methylamino]butanamide?
The InChIKey is YYLHKFGUARUWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-10-18-13-7-4-3-6-12(13)11-16-9-5-8-14(15)17/h2-4,6-7,16H,1,5,8-11H2,(H2,15,17).
What are the key properties of 4-[(2-prop-2-enoxyphenyl)methylamino]butanamide?
4-[(2-prop-2-enoxyphenyl)methylamino]butanamide has a molecular weight of 248.33 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-prop-2-enoxyphenyl)methylamino]butanamide is sourced from PubChem (CID 60865208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).