N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide

C26H29N3O4 — CID 54829431

IUPACN-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
SMILESCOCCOc1cccc(NCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)c1
InChIInChI=1S/C26H29N3O4/c1-32-16-17-33-24-9-5-8-23(18-24)27-19-26(31)29-22-13-11-21(12-14-22)28-25(30)15-10-20-6-3-2-4-7-20/h2-9,11-14,18,27H,10,15-17,19H2,1H3,(H,28,30)(H,29,31)
InChIKeyYFXBXLHFSXTQED-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.33
Rot. Bonds12

About N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide

N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 54829431) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
PubChem CID54829431
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
SMILESCOCCOc1cccc(NCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)c1
InChIInChI=1S/C26H29N3O4/c1-32-16-17-33-24-9-5-8-23(18-24)27-19-26(31)29-22-13-11-21(12-14-22)28-25(30)15-10-20-6-3-2-4-7-20/h2-9,11-14,18,27H,10,15-17,19H2,1H3,(H,28,30)(H,29,31)
InChIKeyYFXBXLHFSXTQED-UHFFFAOYSA-N
XLogP4.33
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829756
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399
N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829263
3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825190
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54827335
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082
N-[3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837285
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827369
methyl 4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]benzoate
CID 54828126
N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830494
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54827361

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide (CID 54829431) is N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide is COCCOc1cccc(NCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)c1.
What is the InChIKey of N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is YFXBXLHFSXTQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-32-16-17-33-24-9-5-8-23(18-24)27-19-26(31)29-22-13-11-21(12-14-22)28-25(30)15-10-20-6-3-2-4-7-20/h2-9,11-14,18,27H,10,15-17,19H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide?
N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 447.54 g/mol, XLogP of 4.33, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 54829431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).