2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide

C15H25N3O2 — CID 79473705

IUPAC2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide
SMILESCCN(CCCNC(=O)COCCN)c1ccccc1
InChIInChI=1S/C15H25N3O2/c1-2-18(14-7-4-3-5-8-14)11-6-10-17-15(19)13-20-12-9-16/h3-5,7-8H,2,6,9-13,16H2,1H3,(H,17,19)
InChIKeyXBYYQIRWXQHQOR-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.99
Rot. Bonds10

About 2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide

2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide (PubChem CID 79473705) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide
PubChem CID79473705
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide
SMILESCCN(CCCNC(=O)COCCN)c1ccccc1
InChIInChI=1S/C15H25N3O2/c1-2-18(14-7-4-3-5-8-14)11-6-10-17-15(19)13-20-12-9-16/h3-5,7-8H,2,6,9-13,16H2,1H3,(H,17,19)
InChIKeyXBYYQIRWXQHQOR-UHFFFAOYSA-N
XLogP0.99
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
3-(N-ethylanilino)propylurea
CID 112708177
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
CID 62834234
N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360
2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide
CID 120594854
N-[3-(dimethylamino)propyl]-2-(N-ethylanilino)acetamide
CID 108995270
2-(2-aminoethoxy)-N-butylacetamide
CID 62343440
2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61259917
(2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61258840
2-amino-N-[3-(N-ethylanilino)propyl]pentanamide
CID 61260460
2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide
CID 24654937
N-[3-(N-ethylanilino)propyl]-2-(3-methoxyphenyl)acetamide
CID 18118732

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide (CID 79473705) is 2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide is CCN(CCCNC(=O)COCCN)c1ccccc1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide?
The InChIKey is XBYYQIRWXQHQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-18(14-7-4-3-5-8-14)11-6-10-17-15(19)13-20-12-9-16/h3-5,7-8H,2,6,9-13,16H2,1H3,(H,17,19).
What are the key properties of 2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide?
2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide has a molecular weight of 279.38 g/mol, XLogP of 0.99, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide is sourced from PubChem (CID 79473705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).