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

C26H29N3O3 — CID 54825403

IUPACN-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)c1
InChIInChI=1S/C26H29N3O3/c1-2-25(30)28-22-11-6-12-23(18-22)29-26(31)19-27-21-13-15-24(16-14-21)32-17-7-10-20-8-4-3-5-9-20/h3-6,8-9,11-16,18,27H,2,7,10,17,19H2,1H3,(H,28,30)(H,29,31)
InChIKeyTVIPJDKBOOXRHY-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.10
Rot. Bonds11

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

N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide (PubChem CID 54825403) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
PubChem CID54825403
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)c1
InChIInChI=1S/C26H29N3O3/c1-2-25(30)28-22-11-6-12-23(18-22)29-26(31)19-27-21-13-15-24(16-14-21)32-17-7-10-20-8-4-3-5-9-20/h3-6,8-9,11-16,18,27H,2,7,10,17,19H2,1H3,(H,28,30)(H,29,31)
InChIKeyTVIPJDKBOOXRHY-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

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide
CID 54825283
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827369
N-[3-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54830686
N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825334
2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54820471
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486
N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825460
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600
N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823941
N-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54844668
N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54835679
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide (CID 54825403) is N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)c1.
What is the InChIKey of N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide?
The InChIKey is TVIPJDKBOOXRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-2-25(30)28-22-11-6-12-23(18-22)29-26(31)19-27-21-13-15-24(16-14-21)32-17-7-10-20-8-4-3-5-9-20/h3-6,8-9,11-16,18,27H,2,7,10,17,19H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide?
N-[3-[[2-[4-(3-phenylpropoxy)anilino]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 N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54825403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).