N,N-bis(2-hydroxypropyl)benzamide

C13H19NO3 — CID 11470407

IUPACN,N-bis(2-hydroxypropyl)benzamide
SMILESCC(O)CN(CC(C)O)C(=O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(15)8-14(9-11(2)16)13(17)12-6-4-3-5-7-12/h3-7,10-11,15-16H,8-9H2,1-2H3
InChIKeyASHCIVHUDUZMEU-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.89
Rot. Bonds5

About N,N-bis(2-hydroxypropyl)benzamide

N,N-bis(2-hydroxypropyl)benzamide (PubChem CID 11470407) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N,N-bis(2-hydroxypropyl)benzamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxypropyl)benzamide
PubChem CID11470407
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN,N-bis(2-hydroxypropyl)benzamide
SMILESCC(O)CN(CC(C)O)C(=O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(15)8-14(9-11(2)16)13(17)12-6-4-3-5-7-12/h3-7,10-11,15-16H,8-9H2,1-2H3
InChIKeyASHCIVHUDUZMEU-UHFFFAOYSA-N
XLogP0.89
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxypropyl)benzamide?
The IUPAC name of N,N-bis(2-hydroxypropyl)benzamide (CID 11470407) is N,N-bis(2-hydroxypropyl)benzamide.
What is the SMILES notation for N,N-bis(2-hydroxypropyl)benzamide?
The canonical SMILES for N,N-bis(2-hydroxypropyl)benzamide is CC(O)CN(CC(C)O)C(=O)c1ccccc1.
What is the InChIKey of N,N-bis(2-hydroxypropyl)benzamide?
The InChIKey is ASHCIVHUDUZMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(15)8-14(9-11(2)16)13(17)12-6-4-3-5-7-12/h3-7,10-11,15-16H,8-9H2,1-2H3.
What are the key properties of N,N-bis(2-hydroxypropyl)benzamide?
N,N-bis(2-hydroxypropyl)benzamide has a molecular weight of 237.30 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxypropyl)benzamide is sourced from PubChem (CID 11470407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).