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

C22H30N2O3 — CID 3504865

IUPAC2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide
SMILESCCCN(CCC)CC(O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H30N2O3/c1-3-14-24(15-4-2)16-19(25)17-27-21-13-9-8-12-20(21)22(26)23-18-10-6-5-7-11-18/h5-13,19,25H,3-4,14-17H2,1-2H3,(H,23,26)
InChIKeyWUHHKFJFGLSSEG-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.80
Rot. Bonds11

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

2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide (PubChem CID 3504865) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide
PubChem CID3504865
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide
SMILESCCCN(CCC)CC(O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H30N2O3/c1-3-14-24(15-4-2)16-19(25)17-27-21-13-9-8-12-20(21)22(26)23-18-10-6-5-7-11-18/h5-13,19,25H,3-4,14-17H2,1-2H3,(H,23,26)
InChIKeyWUHHKFJFGLSSEG-UHFFFAOYSA-N
XLogP3.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide?
The IUPAC name of 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide (CID 3504865) is 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide is CCCN(CCC)CC(O)COc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide?
The InChIKey is WUHHKFJFGLSSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-3-14-24(15-4-2)16-19(25)17-27-21-13-9-8-12-20(21)22(26)23-18-10-6-5-7-11-18/h5-13,19,25H,3-4,14-17H2,1-2H3,(H,23,26).
What are the key properties of 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide?
2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide has a molecular weight of 370.49 g/mol, XLogP of 3.80, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide is sourced from PubChem (CID 3504865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).