2-[3-(dibutylamino)-2-hydroxypropoxy]-N-phenylbenzamide

C24H34N2O3 — CID 2880981

IUPAC2-[3-(dibutylamino)-2-hydroxypropoxy]-N-phenylbenzamide
SMILESCCCCN(CCCC)CC(O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H34N2O3/c1-3-5-16-26(17-6-4-2)18-21(27)19-29-23-15-11-10-14-22(23)24(28)25-20-12-8-7-9-13-20/h7-15,21,27H,3-6,16-19H2,1-2H3,(H,25,28)
InChIKeyMOEUATCQTSNAIW-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.58
Rot. Bonds13

About 2-[3-(dibutylamino)-2-hydroxypropoxy]-N-phenylbenzamide

2-[3-(dibutylamino)-2-hydroxypropoxy]-N-phenylbenzamide (PubChem CID 2880981) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[3-(dibutylamino)-2-hydroxypropoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[3-(dibutylamino)-2-hydroxypropoxy]-N-phenylbenzamide
PubChem CID2880981
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name2-[3-(dibutylamino)-2-hydroxypropoxy]-N-phenylbenzamide
SMILESCCCCN(CCCC)CC(O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H34N2O3/c1-3-5-16-26(17-6-4-2)18-21(27)19-29-23-15-11-10-14-22(23)24(28)25-20-12-8-7-9-13-20/h7-15,21,27H,3-6,16-19H2,1-2H3,(H,25,28)
InChIKeyMOEUATCQTSNAIW-UHFFFAOYSA-N
XLogP4.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dibutylamino)-2-hydroxypropoxy]-N-phenylbenzamide?
The IUPAC name of 2-[3-(dibutylamino)-2-hydroxypropoxy]-N-phenylbenzamide (CID 2880981) is 2-[3-(dibutylamino)-2-hydroxypropoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[3-(dibutylamino)-2-hydroxypropoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[3-(dibutylamino)-2-hydroxypropoxy]-N-phenylbenzamide is CCCCN(CCCC)CC(O)COc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[3-(dibutylamino)-2-hydroxypropoxy]-N-phenylbenzamide?
The InChIKey is MOEUATCQTSNAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-3-5-16-26(17-6-4-2)18-21(27)19-29-23-15-11-10-14-22(23)24(28)25-20-12-8-7-9-13-20/h7-15,21,27H,3-6,16-19H2,1-2H3,(H,25,28).
What are the key properties of 2-[3-(dibutylamino)-2-hydroxypropoxy]-N-phenylbenzamide?
2-[3-(dibutylamino)-2-hydroxypropoxy]-N-phenylbenzamide has a molecular weight of 398.55 g/mol, XLogP of 4.58, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dibutylamino)-2-hydroxypropoxy]-N-phenylbenzamide is sourced from PubChem (CID 2880981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).