N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide

C26H29N3O3 — CID 54823941

IUPACN-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2ccc(OCCc3ccccc3)cc2)c1C
InChIInChI=1S/C26H29N3O3/c1-3-25(30)28-23-10-7-11-24(19(23)2)29-26(31)18-27-21-12-14-22(15-13-21)32-17-16-20-8-5-4-6-9-20/h4-15,27H,3,16-18H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyFGIKMTYCAZUZQD-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.02
Rot. Bonds10

About N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide

N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide (PubChem CID 54823941) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide
PubChem CID54823941
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2ccc(OCCc3ccccc3)cc2)c1C
InChIInChI=1S/C26H29N3O3/c1-3-25(30)28-23-10-7-11-24(19(23)2)29-26(31)18-27-21-12-14-22(15-13-21)32-17-16-20-8-5-4-6-9-20/h4-15,27H,3,16-18H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyFGIKMTYCAZUZQD-UHFFFAOYSA-N
XLogP5.02
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.02
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-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide 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-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839402
2-(4-ethoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54811684
N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54825403
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54823768
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
N-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54844668
N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 46760876
N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54835679
N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823902
N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823642
N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822610

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide (CID 54823941) is N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CNc2ccc(OCCc3ccccc3)cc2)c1C.
What is the InChIKey of N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide?
The InChIKey is FGIKMTYCAZUZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-25(30)28-23-10-7-11-24(19(23)2)29-26(31)18-27-21-12-14-22(15-13-21)32-17-16-20-8-5-4-6-9-20/h4-15,27H,3,16-18H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide?
N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide has a molecular weight of 431.54 g/mol, XLogP of 5.02, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54823941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).