N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide

C15H23Cl2N3O2 — CID 14751497

IUPACN-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESNCCCNCCCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N3O2/c16-12-4-5-14(13(17)10-12)22-11-15(21)20-9-2-1-7-19-8-3-6-18/h4-5,10,19H,1-3,6-9,11,18H2,(H,20,21)
InChIKeyAYAMZQQTFCIEAT-UHFFFAOYSA-N
MW348.27 g/mol
LogP2.21
Rot. Bonds11

About N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide

N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 14751497) has the molecular formula C15H23Cl2N3O2 and a molecular weight of 348.27 g/mol. Its IUPAC name is N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID14751497
Molecular FormulaC15H23Cl2N3O2
Molecular Weight348.27 g/mol
Exact Mass347.12
IUPAC NameN-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESNCCCNCCCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N3O2/c16-12-4-5-14(13(17)10-12)22-11-15(21)20-9-2-1-7-19-8-3-6-18/h4-5,10,19H,1-3,6-9,11,18H2,(H,20,21)
InChIKeyAYAMZQQTFCIEAT-UHFFFAOYSA-N
XLogP2.21
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 52.21
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

2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide
CID 89195114
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide
CID 68958426
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 99993663
2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029604
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methoxypropyl)acetamide
CID 112991216
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide
CID 147530715
2-(2,4-dichlorophenoxy)-N-(3-pyridin-2-ylpropyl)acetamide
CID 110660985

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide (CID 14751497) is N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide is NCCCNCCCCNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is AYAMZQQTFCIEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3O2/c16-12-4-5-14(13(17)10-12)22-11-15(21)20-9-2-1-7-19-8-3-6-18/h4-5,10,19H,1-3,6-9,11,18H2,(H,20,21).
What are the key properties of N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 348.27 g/mol, XLogP of 2.21, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 14751497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).