4-amino-N-(3-prop-2-enoxyphenyl)pentanamide

C14H20N2O2 — CID 120561225

IUPAC4-amino-N-(3-prop-2-enoxyphenyl)pentanamide
SMILESC=CCOc1cccc(NC(=O)CCC(C)N)c1
InChIInChI=1S/C14H20N2O2/c1-3-9-18-13-6-4-5-12(10-13)16-14(17)8-7-11(2)15/h3-6,10-11H,1,7-9,15H2,2H3,(H,16,17)
InChIKeyXCJWOKOYEUTKIJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.32
Rot. Bonds7

About 4-amino-N-(3-prop-2-enoxyphenyl)pentanamide

4-amino-N-(3-prop-2-enoxyphenyl)pentanamide (PubChem CID 120561225) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-N-(3-prop-2-enoxyphenyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(3-prop-2-enoxyphenyl)pentanamide
PubChem CID120561225
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-N-(3-prop-2-enoxyphenyl)pentanamide
SMILESC=CCOc1cccc(NC(=O)CCC(C)N)c1
InChIInChI=1S/C14H20N2O2/c1-3-9-18-13-6-4-5-12(10-13)16-14(17)8-7-11(2)15/h3-6,10-11H,1,7-9,15H2,2H3,(H,16,17)
InChIKeyXCJWOKOYEUTKIJ-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120560452
(2S)-2-amino-3-methyl-N-(3-prop-2-enoxyphenyl)butanamide
CID 39350922
4-amino-N-[3-[(4-chlorophenyl)methoxy]phenyl]pentanamide
CID 120562632
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
CID 120560905
2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide
CID 54831765
3-methyl-N-[(3-prop-2-enoxyphenyl)carbamothioyl]butanamide
CID 17086830
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826616
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
CID 54824851
1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea
CID 60577561

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-prop-2-enoxyphenyl)pentanamide?
The IUPAC name of 4-amino-N-(3-prop-2-enoxyphenyl)pentanamide (CID 120561225) is 4-amino-N-(3-prop-2-enoxyphenyl)pentanamide.
What is the SMILES notation for 4-amino-N-(3-prop-2-enoxyphenyl)pentanamide?
The canonical SMILES for 4-amino-N-(3-prop-2-enoxyphenyl)pentanamide is C=CCOc1cccc(NC(=O)CCC(C)N)c1.
What is the InChIKey of 4-amino-N-(3-prop-2-enoxyphenyl)pentanamide?
The InChIKey is XCJWOKOYEUTKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-9-18-13-6-4-5-12(10-13)16-14(17)8-7-11(2)15/h3-6,10-11H,1,7-9,15H2,2H3,(H,16,17).
What are the key properties of 4-amino-N-(3-prop-2-enoxyphenyl)pentanamide?
4-amino-N-(3-prop-2-enoxyphenyl)pentanamide has a molecular weight of 248.33 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-prop-2-enoxyphenyl)pentanamide is sourced from PubChem (CID 120561225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).