(4-formylphenyl) acetate;3-hydroxy-N-[3-(methylamino)propyl]benzamide;2-methylpropane

C24H34N2O5 — CID 143859688

IUPAC(4-formylphenyl) acetate;3-hydroxy-N-[3-(methylamino)propyl]benzamide;2-methylpropane
SMILESCC(=O)Oc1ccc(C=O)cc1.CC(C)C.CNCCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C11H16N2O2.C9H8O3.C4H10/c1-12-6-3-7-13-11(15)9-4-2-5-10(14)8-9;1-7(11)12-9-4-2-8(6-10)3-5-9;1-4(2)3/h2,4-5,8,12,14H,3,6-7H2,1H3,(H,13,15);2-6H,1H3;4H,1-3H3
InChIKeyRIPAMZCECVCZLE-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.82
Rot. Bonds7

About (4-formylphenyl) acetate;3-hydroxy-N-[3-(methylamino)propyl]benzamide;2-methylpropane

(4-formylphenyl) acetate;3-hydroxy-N-[3-(methylamino)propyl]benzamide;2-methylpropane (PubChem CID 143859688) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is (4-formylphenyl) acetate;3-hydroxy-N-[3-(methylamino)propyl]benzamide;2-methylpropane.

Molecular Properties

Compound Name(4-formylphenyl) acetate;3-hydroxy-N-[3-(methylamino)propyl]benzamide;2-methylpropane
PubChem CID143859688
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Name(4-formylphenyl) acetate;3-hydroxy-N-[3-(methylamino)propyl]benzamide;2-methylpropane
SMILESCC(=O)Oc1ccc(C=O)cc1.CC(C)C.CNCCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C11H16N2O2.C9H8O3.C4H10/c1-12-6-3-7-13-11(15)9-4-2-5-10(14)8-9;1-7(11)12-9-4-2-8(6-10)3-5-9;1-4(2)3/h2,4-5,8,12,14H,3,6-7H2,1H3,(H,13,15);2-6H,1H3;4H,1-3H3
InChIKeyRIPAMZCECVCZLE-UHFFFAOYSA-N
XLogP3.82
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537519
[3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate
CID 108929360
[3-(pentylcarbamoyl)phenyl] acetate
CID 89122347
[3-[3-[(4-aminobenzoyl)amino]propylcarbamoyl]phenyl] acetate
CID 108929458
[3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]propylcarbamoyl]phenyl] acetate
CID 108929501
3-hydroxy-N-octylbenzamide
CID 115568584
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
2-(3-hydroxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 61399440
3-hydroxy-N-(5-methylsulfanylpentyl)benzamide
CID 104927044
[4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate
CID 2274112
2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide
CID 51105782
[3-(3-oxobutylcarbamoyl)phenyl] acetate
CID 142810993

Frequently Asked Questions

What is the IUPAC name of (4-formylphenyl) acetate;3-hydroxy-N-[3-(methylamino)propyl]benzamide;2-methylpropane?
The IUPAC name of (4-formylphenyl) acetate;3-hydroxy-N-[3-(methylamino)propyl]benzamide;2-methylpropane (CID 143859688) is (4-formylphenyl) acetate;3-hydroxy-N-[3-(methylamino)propyl]benzamide;2-methylpropane.
What is the SMILES notation for (4-formylphenyl) acetate;3-hydroxy-N-[3-(methylamino)propyl]benzamide;2-methylpropane?
The canonical SMILES for (4-formylphenyl) acetate;3-hydroxy-N-[3-(methylamino)propyl]benzamide;2-methylpropane is CC(=O)Oc1ccc(C=O)cc1.CC(C)C.CNCCCNC(=O)c1cccc(O)c1.
What is the InChIKey of (4-formylphenyl) acetate;3-hydroxy-N-[3-(methylamino)propyl]benzamide;2-methylpropane?
The InChIKey is RIPAMZCECVCZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.C9H8O3.C4H10/c1-12-6-3-7-13-11(15)9-4-2-5-10(14)8-9;1-7(11)12-9-4-2-8(6-10)3-5-9;1-4(2)3/h2,4-5,8,12,14H,3,6-7H2,1H3,(H,13,15);2-6H,1H3;4H,1-3H3.
What are the key properties of (4-formylphenyl) acetate;3-hydroxy-N-[3-(methylamino)propyl]benzamide;2-methylpropane?
(4-formylphenyl) acetate;3-hydroxy-N-[3-(methylamino)propyl]benzamide;2-methylpropane has a molecular weight of 430.55 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylphenyl) acetate;3-hydroxy-N-[3-(methylamino)propyl]benzamide;2-methylpropane is sourced from PubChem (CID 143859688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).