3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide

C26H29N3O3 — CID 54825190

IUPAC3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
SMILESCCCOc1cccc(NCC(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)c1
InChIInChI=1S/C26H29N3O3/c1-2-16-32-24-13-7-10-21(18-24)27-19-26(31)29-23-12-6-11-22(17-23)28-25(30)15-14-20-8-4-3-5-9-20/h3-13,17-18,27H,2,14-16,19H2,1H3,(H,28,30)(H,29,31)
InChIKeyGCZSPQDEMQPWTK-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.10
Rot. Bonds11

About 3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide

3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide (PubChem CID 54825190) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
PubChem CID54825190
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
SMILESCCCOc1cccc(NCC(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)c1
InChIInChI=1S/C26H29N3O3/c1-2-16-32-24-13-7-10-21(18-24)27-19-26(31)29-23-12-6-11-22(17-23)28-25(30)15-14-20-8-4-3-5-9-20/h3-13,17-18,27H,2,14-16,19H2,1H3,(H,28,30)(H,29,31)
InChIKeyGCZSPQDEMQPWTK-UHFFFAOYSA-N
XLogP5.10
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399
N-[3-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829756
N-[3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837285
N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829263
N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829431
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54827335
N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825188
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
N-[3-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54830686
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54827361
2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54810854
N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830494

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide?
The IUPAC name of 3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide (CID 54825190) is 3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide?
The canonical SMILES for 3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide is CCCOc1cccc(NCC(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)c1.
What is the InChIKey of 3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide?
The InChIKey is GCZSPQDEMQPWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-2-16-32-24-13-7-10-21(18-24)27-19-26(31)29-23-12-6-11-22(17-23)28-25(30)15-14-20-8-4-3-5-9-20/h3-13,17-18,27H,2,14-16,19H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide?
3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide has a molecular weight of 431.54 g/mol, XLogP of 5.10, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54825190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).