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

C22H28N2O4 — CID 17148342

IUPACN-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccccc1NC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-16(2)15-28-18-11-9-17(10-12-18)21(25)24-20-8-5-4-7-19(20)22(26)23-13-6-14-27-3/h4-5,7-12,16H,6,13-15H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyJGEWKPGSDTUUOU-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.74
Rot. Bonds10

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

N-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide (PubChem CID 17148342) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
PubChem CID17148342
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccccc1NC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-16(2)15-28-18-11-9-17(10-12-18)21(25)24-20-8-5-4-7-19(20)22(26)23-13-6-14-27-3/h4-5,7-12,16H,6,13-15H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyJGEWKPGSDTUUOU-UHFFFAOYSA-N
XLogP3.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.74
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

N-(2-methoxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17150371
2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2995862
N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 40742879
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide
CID 17140344
N-(3-methoxypropylcarbamothioyl)-4-(2-methylpropoxy)benzamide
CID 17140196
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376
2-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-N-(3-methoxypropyl)benzamide
CID 17148503
1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109045330
N-methyl-2-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide
CID 17354128
2-benzamido-N-(3-butoxypropyl)benzamide
CID 30748297
2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide
CID 17353533

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide (CID 17148342) is N-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide is COCCCNC(=O)c1ccccc1NC(=O)c1ccc(OCC(C)C)cc1.
What is the InChIKey of N-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
The InChIKey is JGEWKPGSDTUUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16(2)15-28-18-11-9-17(10-12-18)21(25)24-20-8-5-4-7-19(20)22(26)23-13-6-14-27-3/h4-5,7-12,16H,6,13-15H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
N-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 17148342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).