3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide

C27H38N2O4 — CID 4982231

IUPAC3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide
SMILESCC(C)CCOc1cccc(C(=O)NCC(C)NC(=O)c2cccc(OCCC(C)C)c2)c1
InChIInChI=1S/C27H38N2O4/c1-19(2)12-14-32-24-10-6-8-22(16-24)26(30)28-18-21(5)29-27(31)23-9-7-11-25(17-23)33-15-13-20(3)4/h6-11,16-17,19-21H,12-15,18H2,1-5H3,(H,28,30)(H,29,31)
InChIKeyOTDFTEBXTZZGKF-UHFFFAOYSA-N
MW454.61 g/mol
LogP5.08
Rot. Bonds13

About 3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide

3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide (PubChem CID 4982231) has the molecular formula C27H38N2O4 and a molecular weight of 454.61 g/mol. Its IUPAC name is 3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide.

Molecular Properties

Compound Name3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide
PubChem CID4982231
Molecular FormulaC27H38N2O4
Molecular Weight454.61 g/mol
Exact Mass454.28
IUPAC Name3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide
SMILESCC(C)CCOc1cccc(C(=O)NCC(C)NC(=O)c2cccc(OCCC(C)C)c2)c1
InChIInChI=1S/C27H38N2O4/c1-19(2)12-14-32-24-10-6-8-22(16-24)26(30)28-18-21(5)29-27(31)23-9-7-11-25(17-23)33-15-13-20(3)4/h6-11,16-17,19-21H,12-15,18H2,1-5H3,(H,28,30)(H,29,31)
InChIKeyOTDFTEBXTZZGKF-UHFFFAOYSA-N
XLogP5.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-butan-2-yloxy-N-[2-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
CID 17150551
N-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide
CID 4981718
N-(2-hydroxypropylcarbamothioyl)-3-(3-methylbutoxy)benzamide
CID 17161969
N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981665
3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218835
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981645
3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide
CID 120508145
N-(2-chloro-4-methylpentyl)-3-propoxybenzamide
CID 107157243

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide?
The IUPAC name of 3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide (CID 4982231) is 3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide.
What is the SMILES notation for 3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide?
The canonical SMILES for 3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide is CC(C)CCOc1cccc(C(=O)NCC(C)NC(=O)c2cccc(OCCC(C)C)c2)c1.
What is the InChIKey of 3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide?
The InChIKey is OTDFTEBXTZZGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O4/c1-19(2)12-14-32-24-10-6-8-22(16-24)26(30)28-18-21(5)29-27(31)23-9-7-11-25(17-23)33-15-13-20(3)4/h6-11,16-17,19-21H,12-15,18H2,1-5H3,(H,28,30)(H,29,31).
What are the key properties of 3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide?
3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide has a molecular weight of 454.61 g/mol, XLogP of 5.08, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide is sourced from PubChem (CID 4982231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).