N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

C24H32N2O6 — CID 55777600

IUPACN-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1
InChIInChI=1S/C24H32N2O6/c1-6-7-12-31-20-11-9-18(29-4)14-19(20)26-24(28)17-8-10-21(22(13-17)30-5)32-15-23(27)25-16(2)3/h8-11,13-14,16H,6-7,12,15H2,1-5H3,(H,25,27)(H,26,28)
InChIKeyYUHCEHVOYVJZBI-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.04
Rot. Bonds12

About N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (PubChem CID 55777600) has the molecular formula C24H32N2O6 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
PubChem CID55777600
Molecular FormulaC24H32N2O6
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC NameN-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1
InChIInChI=1S/C24H32N2O6/c1-6-7-12-31-20-11-9-18(29-4)14-19(20)26-24(28)17-8-10-21(22(13-17)30-5)32-15-23(27)25-16(2)3/h8-11,13-14,16H,6-7,12,15H2,1-5H3,(H,25,27)(H,26,28)
InChIKeyYUHCEHVOYVJZBI-UHFFFAOYSA-N
XLogP4.04
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-5-methoxyphenyl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119421240
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55770873
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55772596
N-[1-(2-butoxy-5-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55675298
ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 167446651
4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119284799
N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 46486629
3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide
CID 55674446
4-butoxy-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 26914609
3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119715062

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The IUPAC name of N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (CID 55777600) is N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.
What is the SMILES notation for N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The canonical SMILES for N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is CCCCOc1ccc(OC)cc1NC(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1.
What is the InChIKey of N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The InChIKey is YUHCEHVOYVJZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O6/c1-6-7-12-31-20-11-9-18(29-4)14-19(20)26-24(28)17-8-10-21(22(13-17)30-5)32-15-23(27)25-16(2)3/h8-11,13-14,16H,6-7,12,15H2,1-5H3,(H,25,27)(H,26,28).
What are the key properties of N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide has a molecular weight of 444.53 g/mol, XLogP of 4.04, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is sourced from PubChem (CID 55777600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).