N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide

C25H34N4O3 — CID 54836855

IUPACN-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)NC(C)CC)cc2)c1
InChIInChI=1S/C25H34N4O3/c1-4-6-7-11-23(30)28-21-9-8-10-22(16-21)29-24(31)17-26-20-14-12-19(13-15-20)25(32)27-18(3)5-2/h8-10,12-16,18,26H,4-7,11,17H2,1-3H3,(H,27,32)(H,28,30)(H,29,31)
InChIKeyTZNIQZNWTDRRIQ-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.78
Rot. Bonds12

About N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide

N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54836855) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54836855
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC NameN-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)NC(C)CC)cc2)c1
InChIInChI=1S/C25H34N4O3/c1-4-6-7-11-23(30)28-21-9-8-10-22(16-21)29-24(31)17-26-20-14-12-19(13-15-20)25(32)27-18(3)5-2/h8-10,12-16,18,26H,4-7,11,17H2,1-3H3,(H,27,32)(H,28,30)(H,29,31)
InChIKeyTZNIQZNWTDRRIQ-UHFFFAOYSA-N
XLogP4.78
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]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-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide
CID 42579564
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831862
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide
CID 17201350
N-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834525
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
CID 17201639
N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840688
N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842590
3-[[2-[4-(butan-2-ylcarbamoyl)anilino]acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54837059
N-[4-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840381
N-butan-2-yl-3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834956
N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835192

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide (CID 54836855) is N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide is CCCCCC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)NC(C)CC)cc2)c1.
What is the InChIKey of N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is TZNIQZNWTDRRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-4-6-7-11-23(30)28-21-9-8-10-22(16-21)29-24(31)17-26-20-14-12-19(13-15-20)25(32)27-18(3)5-2/h8-10,12-16,18,26H,4-7,11,17H2,1-3H3,(H,27,32)(H,28,30)(H,29,31).
What are the key properties of N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide?
N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 438.57 g/mol, XLogP of 4.78, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54836855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).