4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide

C25H34N2O4 — CID 4938333

IUPAC4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
SMILESCC(C)COc1ccc(C(=O)NCCCNC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C25H34N2O4/c1-18(2)16-30-22-10-6-20(7-11-22)24(28)26-14-5-15-27-25(29)21-8-12-23(13-9-21)31-17-19(3)4/h6-13,18-19H,5,14-17H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyBCYRMOFTNVQPHH-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.31
Rot. Bonds12

About 4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide

4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide (PubChem CID 4938333) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
PubChem CID4938333
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
SMILESCC(C)COc1ccc(C(=O)NCCCNC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C25H34N2O4/c1-18(2)16-30-22-10-6-20(7-11-22)24(28)26-14-5-15-27-25(29)21-8-12-23(13-9-21)31-17-19(3)4/h6-13,18-19H,5,14-17H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyBCYRMOFTNVQPHH-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
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

4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376
lithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate
CID 23705726
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 7379816
N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropoxy)benzamide
CID 65032098
N-(3-methoxypropylcarbamothioyl)-4-(2-methylpropoxy)benzamide
CID 17140196
N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide
CID 78796548
N-ethyl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17234354
4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075
N-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17148342
N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177578
N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
CID 41370977

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide?
The IUPAC name of 4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide (CID 4938333) is 4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide is CC(C)COc1ccc(C(=O)NCCCNC(=O)c2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of 4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide?
The InChIKey is BCYRMOFTNVQPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-18(2)16-30-22-10-6-20(7-11-22)24(28)26-14-5-15-27-25(29)21-8-12-23(13-9-21)31-17-19(3)4/h6-13,18-19H,5,14-17H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of 4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide?
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide has a molecular weight of 426.56 g/mol, XLogP of 4.31, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide is sourced from PubChem (CID 4938333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).