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)Oc1cccc(C(=O)NCCCNC(=O)c2cccc(OC(C)CC)c2)c1
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
MW426.56 g/mol
LogP4.59
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 426.56 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 Weight426.56 g/mol
Exact Mass426.25
IUPAC Name3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)NCCCNC(=O)c2cccc(OC(C)CC)c2)c1
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
XLogP4.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.59
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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Related Compounds

3-butan-2-yloxy-N-[2-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
CID 17150551
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-hex-5-ynyl-3-propan-2-yloxybenzamide
CID 114158546
N-(4-chloropentyl)-3-propan-2-yloxybenzamide
CID 106130049
3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide
CID 40614005
3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide
CID 54830364
3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838782
3-(4-bromohexan-3-yloxy)-N-[3-(tert-butylamino)propyl]benzamide
CID 170434919
3-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-N-ethylbenzamide
CID 17231000

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)Oc1cccc(C(=O)NCCCNC(=O)c2cccc(OC(C)CC)c2)c1.
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 426.56 g/mol, XLogP of 4.59, 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).