1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone

C15H19NO2 — CID 113388829

IUPAC1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone
SMILESC=CCN(CC=C)c1cccc(OC)c1C(C)=O
InChIInChI=1S/C15H19NO2/c1-5-10-16(11-6-2)13-8-7-9-14(18-4)15(13)12(3)17/h5-9H,1-2,10-11H2,3-4H3
InChIKeyOPLWZEUQFINIDO-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.08
Rot. Bonds7

About 1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone

1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone (PubChem CID 113388829) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone
PubChem CID113388829
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone
SMILESC=CCN(CC=C)c1cccc(OC)c1C(C)=O
InChIInChI=1S/C15H19NO2/c1-5-10-16(11-6-2)13-8-7-9-14(18-4)15(13)12(3)17/h5-9H,1-2,10-11H2,3-4H3
InChIKeyOPLWZEUQFINIDO-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.08
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-[bis(prop-2-enyl)amino]-6-methoxycarbonylbenzoic acid
CID 70624885
2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline
CID 113388926
1-[2-methoxy-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 103339602
1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone
CID 113475776
2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670
1-[2-[bis(methylideneamino)amino]-6-methoxyphenyl]-2-methylprop-2-en-1-one
CID 144870339
1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone
CID 113388856
N-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide
CID 155148680
(2-acetyl-3-methoxyphenyl) acetate
CID 15090735
2,3-bis[bis(prop-2-enyl)amino]phenol
CID 141359055
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine
CID 155148654

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone (CID 113388829) is 1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone is C=CCN(CC=C)c1cccc(OC)c1C(C)=O.
What is the InChIKey of 1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone?
The InChIKey is OPLWZEUQFINIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-5-10-16(11-6-2)13-8-7-9-14(18-4)15(13)12(3)17/h5-9H,1-2,10-11H2,3-4H3.
What are the key properties of 1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone?
1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone has a molecular weight of 245.32 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone is sourced from PubChem (CID 113388829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).