N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide

C27H31N3O3 — CID 54823938

IUPACN-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CNc2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H31N3O3/c1-3-20(2)29-27(32)22-9-11-24(12-10-22)30-26(31)19-28-23-13-15-25(16-14-23)33-18-17-21-7-5-4-6-8-21/h4-16,20,28H,3,17-19H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyLADQLBJCPVZTPI-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.89
Rot. Bonds11

About N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide

N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide (PubChem CID 54823938) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
PubChem CID54823938
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CNc2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H31N3O3/c1-3-20(2)29-27(32)22-9-11-24(12-10-22)30-26(31)19-28-23-13-15-25(16-14-23)33-18-17-21-7-5-4-6-8-21/h4-16,20,28H,3,17-19H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyLADQLBJCPVZTPI-UHFFFAOYSA-N
XLogP4.89
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]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-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823902
N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823874
N-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
CID 54825625
4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide
CID 54836155
N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822610
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
2-(4-ethoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54811684
3-methyl-N-[4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54823706
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840386
N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide
CID 17201204
N-butyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825518

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide (CID 54823938) is N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide is CCC(C)NC(=O)c1ccc(NC(=O)CNc2ccc(OCCc3ccccc3)cc2)cc1.
What is the InChIKey of N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide?
The InChIKey is LADQLBJCPVZTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-3-20(2)29-27(32)22-9-11-24(12-10-22)30-26(31)19-28-23-13-15-25(16-14-23)33-18-17-21-7-5-4-6-8-21/h4-16,20,28H,3,17-19H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide?
N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide has a molecular weight of 445.56 g/mol, XLogP of 4.89, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54823938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).