1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone

C16H21NO2 — CID 71386650

IUPAC1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone
SMILESC=CCN(CC=C)CCOc1ccc(C(C)=O)cc1
InChIInChI=1S/C16H21NO2/c1-4-10-17(11-5-2)12-13-19-16-8-6-15(7-9-16)14(3)18/h4-9H,1-2,10-13H2,3H3
InChIKeyYXUVIYHTDABIAT-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.94
Rot. Bonds9

About 1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone

1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone (PubChem CID 71386650) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone
PubChem CID71386650
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone
SMILESC=CCN(CC=C)CCOc1ccc(C(C)=O)cc1
InChIInChI=1S/C16H21NO2/c1-4-10-17(11-5-2)12-13-19-16-8-6-15(7-9-16)14(3)18/h4-9H,1-2,10-13H2,3H3
InChIKeyYXUVIYHTDABIAT-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methylphenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79276865
2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79276001
methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone
CID 161243882
N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037432
2-[2-(4-fluorophenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79277557
6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate
CID 20588637
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503
N-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 2943852
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide
CID 17353510
N-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide
CID 84571474
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone (CID 71386650) is 1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone is C=CCN(CC=C)CCOc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone?
The InChIKey is YXUVIYHTDABIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-10-17(11-5-2)12-13-19-16-8-6-15(7-9-16)14(3)18/h4-9H,1-2,10-13H2,3H3.
What are the key properties of 1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone?
1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone has a molecular weight of 259.35 g/mol, XLogP of 2.94, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone is sourced from PubChem (CID 71386650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).