3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide

C25H34N2O4 — CID 17150561

IUPAC3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
SMILESCCC(C)OC1=CC=CC(=C1)C(=O)NCCCNC(=O)C2=CC(=CC=C2)OC(C)CC
InChIInChI=1S/C25H34N2O4/c1-5-18(3)30-22-12-7-10-20(16-22)24(28)26-14-9-15-27-25(29)21-11-8-13-23(17-21)31-19(4)6-2/h7-8,10-13,16-19H,5-6,9,14-15H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyXDGVCYZQEOHWQI-UHFFFAOYSA-N
MW426.50 g/mol
LogP5.10
Rot. Bonds12

About 3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide

3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide (PubChem CID 17150561) has the molecular formula C25H34N2O4 and a molecular weight of 426.50 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
PubChem CID17150561
Molecular FormulaC25H34N2O4
Molecular Weight426.50 g/mol
Exact Mass426.25
IUPAC Name3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
SMILESCCC(C)OC1=CC=CC(=C1)C(=O)NCCCNC(=O)C2=CC(=CC=C2)OC(C)CC
InChIInChI=1S/C25H34N2O4/c1-5-18(3)30-22-12-7-10-20(16-22)24(28)26-14-9-15-27-25(29)21-11-8-13-23(17-21)31-19(4)6-2/h7-8,10-13,16-19H,5-6,9,14-15H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyXDGVCYZQEOHWQI-UHFFFAOYSA-N
XLogP5.10
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity496

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide?
The IUPAC name of 3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide (CID 17150561) is 3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide is CCC(C)OC1=CC=CC(=C1)C(=O)NCCCNC(=O)C2=CC(=CC=C2)OC(C)CC.
What is the InChIKey of 3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide?
The InChIKey is XDGVCYZQEOHWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-5-18(3)30-22-12-7-10-20(16-22)24(28)26-14-9-15-27-25(29)21-11-8-13-23(17-21)31-19(4)6-2/h7-8,10-13,16-19H,5-6,9,14-15H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of 3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide?
3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide has a molecular weight of 426.50 g/mol, XLogP of 5.10, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide is sourced from PubChem (CID 17150561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).