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

C29H35N3O3 — CID 54825283

IUPACN-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)c1
InChIInChI=1S/C29H35N3O3/c1-2-3-5-15-28(33)31-25-13-8-14-26(21-25)32-29(34)22-30-24-16-18-27(19-17-24)35-20-9-12-23-10-6-4-7-11-23/h4,6-8,10-11,13-14,16-19,21,30H,2-3,5,9,12,15,20,22H2,1H3,(H,31,33)(H,32,34)
InChIKeyQEYDAMSUFSOFAX-UHFFFAOYSA-N
MW473.62 g/mol
LogP6.27
Rot. Bonds14

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

N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide (PubChem CID 54825283) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide
PubChem CID54825283
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC NameN-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)c1
InChIInChI=1S/C29H35N3O3/c1-2-3-5-15-28(33)31-25-13-8-14-26(21-25)32-29(34)22-30-24-16-18-27(19-17-24)35-20-9-12-23-10-6-4-7-11-23/h4,6-8,10-11,13-14,16-19,21,30H,2-3,5,9,12,15,20,22H2,1H3,(H,31,33)(H,32,34)
InChIKeyQEYDAMSUFSOFAX-UHFFFAOYSA-N
XLogP6.27
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 56.27
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-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide
CID 54822717
N-[3-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54830686
N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54825403
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839712
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54827335
N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide
CID 54841252
2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54823270
N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 54822027
N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829263

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide?
The IUPAC name of N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide (CID 54825283) is N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide.
What is the SMILES notation for N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide?
The canonical SMILES for N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide is CCCCCC(=O)Nc1cccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)c1.
What is the InChIKey of N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide?
The InChIKey is QEYDAMSUFSOFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-2-3-5-15-28(33)31-25-13-8-14-26(21-25)32-29(34)22-30-24-16-18-27(19-17-24)35-20-9-12-23-10-6-4-7-11-23/h4,6-8,10-11,13-14,16-19,21,30H,2-3,5,9,12,15,20,22H2,1H3,(H,31,33)(H,32,34).
What are the key properties of N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide?
N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide has a molecular weight of 473.62 g/mol, XLogP of 6.27, 14 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]hexanamide is sourced from PubChem (CID 54825283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).