1-(dibenzylamino)-3-methoxypenta-3,4-dien-2-ol

C20H23NO2 — CID 14965639

IUPAC1-(dibenzylamino)-3-methoxypenta-3,4-dien-2-ol
SMILESC=C=C(OC)C(O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-3-20(23-2)19(22)16-21(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,19,22H,1,14-16H2,2H3
InChIKeyMNOPMLRIGPHWAN-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.36
Rot. Bonds8

About 1-(dibenzylamino)-3-methoxypenta-3,4-dien-2-ol

1-(dibenzylamino)-3-methoxypenta-3,4-dien-2-ol (PubChem CID 14965639) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(dibenzylamino)-3-methoxypenta-3,4-dien-2-ol.

Molecular Properties

Compound Name1-(dibenzylamino)-3-methoxypenta-3,4-dien-2-ol
PubChem CID14965639
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-(dibenzylamino)-3-methoxypenta-3,4-dien-2-ol
SMILESC=C=C(OC)C(O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-3-20(23-2)19(22)16-21(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,19,22H,1,14-16H2,2H3
InChIKeyMNOPMLRIGPHWAN-UHFFFAOYSA-N
XLogP3.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 22657
(3S,4S)-(+)-1-Benzyl-3,4-pyrrolidindiol
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CID 7021491
rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol
CID 536645
3-(Dibenzylamino)-1-propanol
CID 4437007
1-[Benzyl(2-hydroxyethyl)amino]-3-[(2-ethylhexyl)oxy]propan-2-ol
CID 70331967
1-(Dibenzylamino)-3-[(2-ethylhexyl)oxy]propan-2-ol
CID 155765665
2-[Benzyl(cyclohexylmethyl)amino]ethanol
CID 783424
1-[Benzyl(ethyl)amino]-3-phenylmethoxypropan-2-ol
CID 44427649
1-(Phenylmethyl)-1,2,3,6-tetrahydropyridin-3-ol
CID 6421550
Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1)
CID 103099
Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecyl-, chloride (1:1)
CID 103101

Frequently Asked Questions

What is the IUPAC name of 1-(dibenzylamino)-3-methoxypenta-3,4-dien-2-ol?
The IUPAC name of 1-(dibenzylamino)-3-methoxypenta-3,4-dien-2-ol (CID 14965639) is 1-(dibenzylamino)-3-methoxypenta-3,4-dien-2-ol.
What is the SMILES notation for 1-(dibenzylamino)-3-methoxypenta-3,4-dien-2-ol?
The canonical SMILES for 1-(dibenzylamino)-3-methoxypenta-3,4-dien-2-ol is C=C=C(OC)C(O)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-(dibenzylamino)-3-methoxypenta-3,4-dien-2-ol?
The InChIKey is MNOPMLRIGPHWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-20(23-2)19(22)16-21(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,19,22H,1,14-16H2,2H3.
What are the key properties of 1-(dibenzylamino)-3-methoxypenta-3,4-dien-2-ol?
1-(dibenzylamino)-3-methoxypenta-3,4-dien-2-ol has a molecular weight of 309.41 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibenzylamino)-3-methoxypenta-3,4-dien-2-ol is sourced from PubChem (CID 14965639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).