2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide

C14H23N3O2 — CID 55173821

IUPAC2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide
SMILESCCCN(CC(=O)NCCOC)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O2/c1-3-9-17(11-14(18)16-8-10-19-2)13-6-4-12(15)5-7-13/h4-7H,3,8-11,15H2,1-2H3,(H,16,18)
InChIKeyWSEFYEJPSGOEJW-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.25
Rot. Bonds8

About 2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide

2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide (PubChem CID 55173821) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide
PubChem CID55173821
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide
SMILESCCCN(CC(=O)NCCOC)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O2/c1-3-9-17(11-14(18)16-8-10-19-2)13-6-4-12(15)5-7-13/h4-7H,3,8-11,15H2,1-2H3,(H,16,18)
InChIKeyWSEFYEJPSGOEJW-UHFFFAOYSA-N
XLogP1.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-propylanilino)-N-propylacetamide
CID 55174400
2-[(4-aminophenyl)methyl-propylamino]-N-(2-methoxyethyl)acetamide
CID 61487336
2-(N-(3-amino-3-sulfanylidenepropyl)anilino)-N-(2-methoxyethyl)acetamide
CID 61487413
2-(4-amino-N-propylanilino)-N-phenylacetamide
CID 63233780
2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide
CID 63231608
2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide
CID 61487456
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
2-[acetyl(propyl)amino]-N-(2-methoxyethyl)acetamide
CID 113157913
4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine
CID 103180403
N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide
CID 108504994
2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 39358683
2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide
CID 61486228

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide (CID 55173821) is 2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide is CCCN(CC(=O)NCCOC)c1ccc(N)cc1.
What is the InChIKey of 2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide?
The InChIKey is WSEFYEJPSGOEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-9-17(11-14(18)16-8-10-19-2)13-6-4-12(15)5-7-13/h4-7H,3,8-11,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide?
2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 55173821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).