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

C28H33N3O4 — CID 54822717

IUPACN-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)CNc2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C28H33N3O4/c1-2-3-5-13-27(32)30-23-9-8-10-24(20-23)31-28(33)21-29-22-14-16-26(17-15-22)35-19-18-34-25-11-6-4-7-12-25/h4,6-12,14-17,20,29H,2-3,5,13,18-19,21H2,1H3,(H,30,32)(H,31,33)
InChIKeyNMRPBSIZKYCLRO-UHFFFAOYSA-N
MW475.59 g/mol
LogP5.71
Rot. Bonds14

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

N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide (PubChem CID 54822717) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide
PubChem CID54822717
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC NameN-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)CNc2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C28H33N3O4/c1-2-3-5-13-27(32)30-23-9-8-10-24(20-23)31-28(33)21-29-22-14-16-26(17-15-22)35-19-18-34-25-11-6-4-7-12-25/h4,6-12,14-17,20,29H,2-3,5,13,18-19,21H2,1H3,(H,30,32)(H,31,33)
InChIKeyNMRPBSIZKYCLRO-UHFFFAOYSA-N
XLogP5.71
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide
CID 54841252
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837051
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54822685
N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 54822027
N-[3-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 54839241
N-[3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide
CID 54841168
N-[3-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54830686
2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 54821713
N-[3-[[2-(4-heptoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54821435

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide?
The IUPAC name of N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide (CID 54822717) is N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide.
What is the SMILES notation for N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide?
The canonical SMILES for N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide is CCCCCC(=O)Nc1cccc(NC(=O)CNc2ccc(OCCOc3ccccc3)cc2)c1.
What is the InChIKey of N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide?
The InChIKey is NMRPBSIZKYCLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-2-3-5-13-27(32)30-23-9-8-10-24(20-23)31-28(33)21-29-22-14-16-26(17-15-22)35-19-18-34-25-11-6-4-7-12-25/h4,6-12,14-17,20,29H,2-3,5,13,18-19,21H2,1H3,(H,30,32)(H,31,33).
What are the key properties of N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide?
N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide has a molecular weight of 475.59 g/mol, XLogP of 5.71, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide is sourced from PubChem (CID 54822717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).