3-benzamido-N-(3-propan-2-yloxypropyl)benzamide

C20H24N2O3 — CID 2971871

IUPAC3-benzamido-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-15(2)25-13-7-12-21-19(23)17-10-6-11-18(14-17)22-20(24)16-8-4-3-5-9-16/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIZNKIHFTRIKAJN-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.48
Rot. Bonds8

About 3-benzamido-N-(3-propan-2-yloxypropyl)benzamide

3-benzamido-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 2971871) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-benzamido-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name3-benzamido-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID2971871
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-benzamido-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-15(2)25-13-7-12-21-19(23)17-10-6-11-18(14-17)22-20(24)16-8-4-3-5-9-16/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIZNKIHFTRIKAJN-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 3-benzamido-N-(3-propan-2-yloxypropyl)benzamide (CID 2971871) is 3-benzamido-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 3-benzamido-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 3-benzamido-N-(3-propan-2-yloxypropyl)benzamide is CC(C)OCCCNC(=O)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzamido-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is IZNKIHFTRIKAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(2)25-13-7-12-21-19(23)17-10-6-11-18(14-17)22-20(24)16-8-4-3-5-9-16/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-benzamido-N-(3-propan-2-yloxypropyl)benzamide?
3-benzamido-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 2971871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).