4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

C25H31N3O4 — CID 4601773

IUPAC4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)N(CC(=O)NCC(=O)Nc2ccc(C)cc2)C2CC2)cc1
InChIInChI=1S/C25H31N3O4/c1-3-4-15-32-22-13-7-19(8-14-22)25(31)28(21-11-12-21)17-24(30)26-16-23(29)27-20-9-5-18(2)6-10-20/h5-10,13-14,21H,3-4,11-12,15-17H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyRFNYKHYYHICVPT-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.53
Rot. Bonds11

About 4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 4601773) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID4601773
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)N(CC(=O)NCC(=O)Nc2ccc(C)cc2)C2CC2)cc1
InChIInChI=1S/C25H31N3O4/c1-3-4-15-32-22-13-7-19(8-14-22)25(31)28(21-11-12-21)17-24(30)26-16-23(29)27-20-9-5-18(2)6-10-20/h5-10,13-14,21H,3-4,11-12,15-17H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyRFNYKHYYHICVPT-UHFFFAOYSA-N
XLogP3.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]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

4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4169930
4-butoxy-N-(2-methoxyethyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3405435
N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 5059734
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 4288928
2-[[2-[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CID 42770718
4-butoxy-N-(4-methylphenyl)benzenecarbothioamide
CID 71385630
methyl 4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzoate
CID 54816861
N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide
CID 42770719
N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3597840
N-(4-butoxyphenyl)-2-(ethylamino)acetamide
CID 54821038
N,N-diethyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 7817272

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 4601773) is 4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)N(CC(=O)NCC(=O)Nc2ccc(C)cc2)C2CC2)cc1.
What is the InChIKey of 4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is RFNYKHYYHICVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-3-4-15-32-22-13-7-19(8-14-22)25(31)28(21-11-12-21)17-24(30)26-16-23(29)27-20-9-5-18(2)6-10-20/h5-10,13-14,21H,3-4,11-12,15-17H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 437.54 g/mol, XLogP of 3.53, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4601773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).