N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide

C22H29N3O3 — CID 54817487

IUPACN-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)CNc2ccccc2OCC)c1
InChIInChI=1S/C22H29N3O3/c1-3-5-6-14-21(26)24-17-10-9-11-18(15-17)25-22(27)16-23-19-12-7-8-13-20(19)28-4-2/h7-13,15,23H,3-6,14,16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyBGWPORDCIJMAFB-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.65
Rot. Bonds11

About N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide

N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide (PubChem CID 54817487) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide
PubChem CID54817487
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)CNc2ccccc2OCC)c1
InChIInChI=1S/C22H29N3O3/c1-3-5-6-14-21(26)24-17-10-9-11-18(15-17)25-22(27)16-23-19-12-7-8-13-20(19)28-4-2/h7-13,15,23H,3-6,14,16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyBGWPORDCIJMAFB-UHFFFAOYSA-N
XLogP4.65
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(2-phenylmethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54828090
2-(2-ethoxyanilino)-N-(3-ethoxyphenyl)acetamide
CID 54817200
N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide
CID 54828042
N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide
CID 54828105
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817227
N-(2-ethoxyphenyl)octanamide
CID 4158866
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]hexanamide
CID 54815058
N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide
CID 54841082
N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842530
N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide
CID 54827782
N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide
CID 9102058
2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide
CID 54827601

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide?
The IUPAC name of N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide (CID 54817487) is N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide.
What is the SMILES notation for N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide?
The canonical SMILES for N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide is CCCCCC(=O)Nc1cccc(NC(=O)CNc2ccccc2OCC)c1.
What is the InChIKey of N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide?
The InChIKey is BGWPORDCIJMAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-5-6-14-21(26)24-17-10-9-11-18(15-17)25-22(27)16-23-19-12-7-8-13-20(19)28-4-2/h7-13,15,23H,3-6,14,16H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide?
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide has a molecular weight of 383.49 g/mol, XLogP of 4.65, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide is sourced from PubChem (CID 54817487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).