3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol

C19H29NO3 — CID 82073670

IUPAC3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol
SMILESC=CCN(CC=C)CCC(O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C19H29NO3/c1-5-12-20(13-6-2)14-11-17(21)16-9-10-18(22-7-3)19(15-16)23-8-4/h5-6,9-10,15,17,21H,1-2,7-8,11-14H2,3-4H3
InChIKeyAWAHBVYZZXDZDM-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.58
Rot. Bonds12

About 3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol

3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol (PubChem CID 82073670) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol
PubChem CID82073670
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol
SMILESC=CCN(CC=C)CCC(O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C19H29NO3/c1-5-12-20(13-6-2)14-11-17(21)16-9-10-18(22-7-3)19(15-16)23-8-4/h5-6,9-10,15,17,21H,1-2,7-8,11-14H2,3-4H3
InChIKeyAWAHBVYZZXDZDM-UHFFFAOYSA-N
XLogP3.58
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol
CID 82073673
1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol
CID 82071253
1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol
CID 82315713
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol
CID 62789961
3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol
CID 62624727
1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
CID 83952160
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82073667
6-(3,4-diethoxyphenyl)-6-hydroxyhexanoic acid
CID 43447097
1-(3,4-diethoxyphenyl)prop-2-en-1-amine
CID 105000806
1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073664

Frequently Asked Questions

What is the IUPAC name of 3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol?
The IUPAC name of 3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol (CID 82073670) is 3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol is C=CCN(CC=C)CCC(O)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of 3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol?
The InChIKey is AWAHBVYZZXDZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-5-12-20(13-6-2)14-11-17(21)16-9-10-18(22-7-3)19(15-16)23-8-4/h5-6,9-10,15,17,21H,1-2,7-8,11-14H2,3-4H3.
What are the key properties of 3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol?
3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol has a molecular weight of 319.45 g/mol, XLogP of 3.58, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol is sourced from PubChem (CID 82073670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).