[3-(2-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate

C19H22N2O3 — CID 154035424

IUPAC[3-(2-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CNc1ccccc1Nc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(2)19(23)24-13-16(22)12-20-17-10-6-7-11-18(17)21-15-8-4-3-5-9-15/h3-11,16,20-22H,1,12-13H2,2H3
InChIKeyDODSVJPCMUHAFJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.32
Rot. Bonds8

About [3-(2-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate

[3-(2-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate (PubChem CID 154035424) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [3-(2-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(2-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate
PubChem CID154035424
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[3-(2-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CNc1ccccc1Nc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(2)19(23)24-13-16(22)12-20-17-10-6-7-11-18(17)21-15-8-4-3-5-9-15/h3-11,16,20-22H,1,12-13H2,2H3
InChIKeyDODSVJPCMUHAFJ-UHFFFAOYSA-N
XLogP3.32
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[3-(4-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate;1-N-cyclohexyl-4-N-phenylbenzene-1,4-diamine
CID 158491321
[3-[4-(4-cyclohexylanilino)anilino]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 54175342
(2-anilino-3,3-dimethylbutyl) 2-methylprop-2-enoate
CID 69412555
6-(4-anilinoanilino)-5-hydroxy-2-methylhex-1-en-3-one
CID 70386952
(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid
CID 174553100
2,3-dihydroxypropyl 2-methylprop-2-enoate;phenylboronic acid
CID 174989633
[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate
CID 154273531
triethyl-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-3-oxo-1-phenylpropyl]phosphanium chloride
CID 172811755
(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
[2-hydroxy-3-(2-iodophenoxy)propyl] 2-methylprop-2-enoate
CID 171726363
methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
CID 174987309
[4-(4-benzylphenyl)-2-hydroxybutyl] 2-methylprop-2-enoate;1-(4-benzylphenyl)-3-methylbut-3-en-2-one
CID 159509020

Frequently Asked Questions

What is the IUPAC name of [3-(2-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-(2-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate (CID 154035424) is [3-(2-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-(2-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-(2-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)CNc1ccccc1Nc1ccccc1.
What is the InChIKey of [3-(2-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate?
The InChIKey is DODSVJPCMUHAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(2)19(23)24-13-16(22)12-20-17-10-6-7-11-18(17)21-15-8-4-3-5-9-15/h3-11,16,20-22H,1,12-13H2,2H3.
What are the key properties of [3-(2-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate?
[3-(2-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate has a molecular weight of 326.40 g/mol, XLogP of 3.32, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 154035424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).