N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide

C27H31N3O3 — CID 54827335

IUPACN-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CNc2cccc(OCCCc3ccccc3)c2)cc1
InChIInChI=1S/C27H31N3O3/c1-2-8-26(31)29-22-14-16-23(17-15-22)30-27(32)20-28-24-12-6-13-25(19-24)33-18-7-11-21-9-4-3-5-10-21/h3-6,9-10,12-17,19,28H,2,7-8,11,18,20H2,1H3,(H,29,31)(H,30,32)
InChIKeyJVPSTEXDTXDEEM-UHFFFAOYSA-N
MW445.56 g/mol
LogP5.49
Rot. Bonds12

About N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide

N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide (PubChem CID 54827335) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide
PubChem CID54827335
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CNc2cccc(OCCCc3ccccc3)c2)cc1
InChIInChI=1S/C27H31N3O3/c1-2-8-26(31)29-22-14-16-23(17-15-22)30-27(32)20-28-24-12-6-13-25(19-24)33-18-7-11-21-9-4-3-5-10-21/h3-6,9-10,12-17,19,28H,2,7-8,11,18,20H2,1H3,(H,29,31)(H,30,32)
InChIKeyJVPSTEXDTXDEEM-UHFFFAOYSA-N
XLogP5.49
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide 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-[3-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54830686
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827369
N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829263
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
methyl 4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]benzoate
CID 54828126
N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829431
3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825190
2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54810854
N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837051
2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54823270
N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide
CID 54825283
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide (CID 54827335) is N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(NC(=O)CNc2cccc(OCCCc3ccccc3)c2)cc1.
What is the InChIKey of N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide?
The InChIKey is JVPSTEXDTXDEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-2-8-26(31)29-22-14-16-23(17-15-22)30-27(32)20-28-24-12-6-13-25(19-24)33-18-7-11-21-9-4-3-5-10-21/h3-6,9-10,12-17,19,28H,2,7-8,11,18,20H2,1H3,(H,29,31)(H,30,32).
What are the key properties of N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide?
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide has a molecular weight of 445.56 g/mol, XLogP of 5.49, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54827335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).