N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide

C21H27N3O4 — CID 54827552

IUPACN-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide
SMILESCCOCCOc1cccc(NCC(=O)Nc2cccc(NC(=O)CC)c2)c1
InChIInChI=1S/C21H27N3O4/c1-3-20(25)23-17-8-5-9-18(13-17)24-21(26)15-22-16-7-6-10-19(14-16)28-12-11-27-4-2/h5-10,13-14,22H,3-4,11-12,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCUKIHVGQAZOVPC-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.50
Rot. Bonds11

About N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide

N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide (PubChem CID 54827552) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide
PubChem CID54827552
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide
SMILESCCOCCOc1cccc(NCC(=O)Nc2cccc(NC(=O)CC)c2)c1
InChIInChI=1S/C21H27N3O4/c1-3-20(25)23-17-8-5-9-18(13-17)24-21(26)15-22-16-7-6-10-19(14-16)28-12-11-27-4-2/h5-10,13-14,22H,3-4,11-12,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCUKIHVGQAZOVPC-UHFFFAOYSA-N
XLogP3.50
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.50
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-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825188
N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827735
N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982
2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 54811569
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54827361
N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827734
N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825386
N-(2,3-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827324
3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54827524
N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826616
2-[3-(2-ethoxyethoxy)anilino]-N-naphthalen-1-ylacetamide
CID 54827574

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide (CID 54827552) is N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide is CCOCCOc1cccc(NCC(=O)Nc2cccc(NC(=O)CC)c2)c1.
What is the InChIKey of N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide?
The InChIKey is CUKIHVGQAZOVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-3-20(25)23-17-8-5-9-18(13-17)24-21(26)15-22-16-7-6-10-19(14-16)28-12-11-27-4-2/h5-10,13-14,22H,3-4,11-12,15H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide?
N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide has a molecular weight of 385.46 g/mol, XLogP of 3.50, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54827552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).