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

C25H34N2O4 — CID 17150551

IUPAC3-butan-2-yloxy-N-[2-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)NCC(C)NC(=O)c2cccc(OC(C)CC)c2)c1
InChIInChI=1S/C25H34N2O4/c1-6-18(4)30-22-12-8-10-20(14-22)24(28)26-16-17(3)27-25(29)21-11-9-13-23(15-21)31-19(5)7-2/h8-15,17-19H,6-7,16H2,1-5H3,(H,26,28)(H,27,29)
InChIKeySSHIKOFVLYRCNG-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.59
Rot. Bonds11

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

3-butan-2-yloxy-N-[2-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide (PubChem CID 17150551) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[2-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[2-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
PubChem CID17150551
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name3-butan-2-yloxy-N-[2-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)NCC(C)NC(=O)c2cccc(OC(C)CC)c2)c1
InChIInChI=1S/C25H34N2O4/c1-6-18(4)30-22-12-8-10-20(14-22)24(28)26-16-17(3)27-25(29)21-11-9-13-23(15-21)31-19(5)7-2/h8-15,17-19H,6-7,16H2,1-5H3,(H,26,28)(H,27,29)
InChIKeySSHIKOFVLYRCNG-UHFFFAOYSA-N
XLogP4.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
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

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Related Compounds

3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
CID 17150561
3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide
CID 4982231
3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652569
3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide
CID 40976698
4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654055
3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide
CID 40614005
propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate
CID 40769471
3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681
3-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-N-ethylbenzamide
CID 17231000
3-butan-2-yloxy-N-(3-chlorophenyl)benzamide
CID 17149674
ethyl 3-[(2R)-butan-2-yl]oxybenzoate
CID 139830028
N-[(2R)-2-(ethylamino)propyl]-3-phenylmethoxybenzamide
CID 120650597

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[2-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide?
The IUPAC name of 3-butan-2-yloxy-N-[2-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide (CID 17150551) is 3-butan-2-yloxy-N-[2-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-[2-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-[2-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide is CCC(C)Oc1cccc(C(=O)NCC(C)NC(=O)c2cccc(OC(C)CC)c2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[2-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide?
The InChIKey is SSHIKOFVLYRCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-6-18(4)30-22-12-8-10-20(14-22)24(28)26-16-17(3)27-25(29)21-11-9-13-23(15-21)31-19(5)7-2/h8-15,17-19H,6-7,16H2,1-5H3,(H,26,28)(H,27,29).
What are the key properties of 3-butan-2-yloxy-N-[2-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide?
3-butan-2-yloxy-N-[2-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide has a molecular weight of 426.56 g/mol, XLogP of 4.59, 11 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-[2-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide is sourced from PubChem (CID 17150551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).