N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide

C22H29N3O4 — CID 54837207

IUPACN-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCC(=O)Nc2ccc(OCCOCC)cc2)cc1
InChIInChI=1S/C22H29N3O4/c1-3-5-21(26)24-18-8-6-17(7-9-18)23-16-22(27)25-19-10-12-20(13-11-19)29-15-14-28-4-2/h6-13,23H,3-5,14-16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyBPHDHBGGJUMRSR-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.89
Rot. Bonds12

About N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide

N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide (PubChem CID 54837207) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
PubChem CID54837207
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCC(=O)Nc2ccc(OCCOCC)cc2)cc1
InChIInChI=1S/C22H29N3O4/c1-3-5-21(26)24-18-8-6-17(7-9-18)23-16-22(27)25-19-10-12-20(13-11-19)29-15-14-28-4-2/h6-13,23H,3-5,14-16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyBPHDHBGGJUMRSR-UHFFFAOYSA-N
XLogP3.89
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54822685
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846095
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide
CID 54841252
N-(3,5-dichlorophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825678
2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide
CID 54825412
N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825460
N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825386

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide (CID 54837207) is N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(NCC(=O)Nc2ccc(OCCOCC)cc2)cc1.
What is the InChIKey of N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide?
The InChIKey is BPHDHBGGJUMRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-3-5-21(26)24-18-8-6-17(7-9-18)23-16-22(27)25-19-10-12-20(13-11-19)29-15-14-28-4-2/h6-13,23H,3-5,14-16H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide?
N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide has a molecular weight of 399.49 g/mol, XLogP of 3.89, 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-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide is sourced from PubChem (CID 54837207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).