2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide

C14H20Cl2N2O2 — CID 119306648

IUPAC2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide
SMILESCCCC(N)C(=O)NCCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O2/c1-2-4-12(17)14(19)18-7-3-8-20-13-6-5-10(15)9-11(13)16/h5-6,9,12H,2-4,7-8,17H2,1H3,(H,18,19)
InChIKeyJRPRDGLBIOBIMI-UHFFFAOYSA-N
MW319.23 g/mol
LogP3.01
Rot. Bonds8

About 2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide

2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide (PubChem CID 119306648) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide
PubChem CID119306648
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide
SMILESCCCC(N)C(=O)NCCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O2/c1-2-4-12(17)14(19)18-7-3-8-20-13-6-5-10(15)9-11(13)16/h5-6,9,12H,2-4,7-8,17H2,1H3,(H,18,19)
InChIKeyJRPRDGLBIOBIMI-UHFFFAOYSA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119306639
4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride
CID 120561480
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride
CID 119263881
2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119298223
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide
CID 119317523
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide
CID 103831329
N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119498285
2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119317522
1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119306646

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide?
The IUPAC name of 2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide (CID 119306648) is 2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide.
What is the SMILES notation for 2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide?
The canonical SMILES for 2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide is CCCC(N)C(=O)NCCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide?
The InChIKey is JRPRDGLBIOBIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-2-4-12(17)14(19)18-7-3-8-20-13-6-5-10(15)9-11(13)16/h5-6,9,12H,2-4,7-8,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide?
2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide has a molecular weight of 319.23 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide is sourced from PubChem (CID 119306648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).