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

C26H29N3O4 — CID 54822685

IUPACN-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CNc2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C26H29N3O4/c1-2-6-25(30)28-21-9-11-22(12-10-21)29-26(31)19-27-20-13-15-24(16-14-20)33-18-17-32-23-7-4-3-5-8-23/h3-5,7-16,27H,2,6,17-19H2,1H3,(H,28,30)(H,29,31)
InChIKeyWSXJEHUYMPKSAT-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.93
Rot. Bonds12

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

N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide (PubChem CID 54822685) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
PubChem CID54822685
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CNc2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C26H29N3O4/c1-2-6-25(30)28-21-9-11-22(12-10-21)29-26(31)19-27-20-13-15-24(16-14-20)33-18-17-32-23-7-4-3-5-8-23/h3-5,7-16,27H,2,6,17-19H2,1H3,(H,28,30)(H,29,31)
InChIKeyWSXJEHUYMPKSAT-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
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-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54835679
N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54837207
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082
N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54839113
N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837051
N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide
CID 54822717

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide (CID 54822685) is N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(NC(=O)CNc2ccc(OCCOc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide?
The InChIKey is WSXJEHUYMPKSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-2-6-25(30)28-21-9-11-22(12-10-21)29-26(31)19-27-20-13-15-24(16-14-20)33-18-17-32-23-7-4-3-5-8-23/h3-5,7-16,27H,2,6,17-19H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide?
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide has a molecular weight of 447.54 g/mol, XLogP of 4.93, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54822685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).