4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide

C30H44N2O4 — CID 17233376

IUPAC4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
SMILESCC(C)COc1ccc(C(=O)NCCCCCCCCNC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C30H44N2O4/c1-23(2)21-35-27-15-11-25(12-16-27)29(33)31-19-9-7-5-6-8-10-20-32-30(34)26-13-17-28(18-14-26)36-22-24(3)4/h11-18,23-24H,5-10,19-22H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyIXWLIUXHHDLBSI-UHFFFAOYSA-N
MW496.69 g/mol
LogP6.26
Rot. Bonds17

About 4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide

4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide (PubChem CID 17233376) has the molecular formula C30H44N2O4 and a molecular weight of 496.69 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
PubChem CID17233376
Molecular FormulaC30H44N2O4
Molecular Weight496.69 g/mol
Exact Mass496.33
IUPAC Name4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
SMILESCC(C)COc1ccc(C(=O)NCCCCCCCCNC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C30H44N2O4/c1-23(2)21-35-27-15-11-25(12-16-27)29(33)31-19-9-7-5-6-8-10-20-32-30(34)26-13-17-28(18-14-26)36-22-24(3)4/h11-18,23-24H,5-10,19-22H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyIXWLIUXHHDLBSI-UHFFFAOYSA-N
XLogP6.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.69
LogP ≤ 56.26
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-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
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
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropoxy)benzamide
CID 65032098
N-decyl-4-ethoxybenzamide
CID 4123784
N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide
CID 139715444
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
N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide
CID 106842963

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide?
The IUPAC name of 4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide (CID 17233376) is 4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide is CC(C)COc1ccc(C(=O)NCCCCCCCCNC(=O)c2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of 4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide?
The InChIKey is IXWLIUXHHDLBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O4/c1-23(2)21-35-27-15-11-25(12-16-27)29(33)31-19-9-7-5-6-8-10-20-32-30(34)26-13-17-28(18-14-26)36-22-24(3)4/h11-18,23-24H,5-10,19-22H2,1-4H3,(H,31,33)(H,32,34).
What are the key properties of 4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide?
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide has a molecular weight of 496.69 g/mol, XLogP of 6.26, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide is sourced from PubChem (CID 17233376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).