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

C14H21Cl3N2O2 — CID 120561480

IUPAC4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCCCOc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C14H20Cl2N2O2.ClH/c1-10(17)3-6-14(19)18-7-2-8-20-13-5-4-11(15)9-12(13)16;/h4-5,9-10H,2-3,6-8,17H2,1H3,(H,18,19);1H
InChIKeyBQEMUNDBGSQWTK-UHFFFAOYSA-N
MW355.69 g/mol
LogP3.43
Rot. Bonds8

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

4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride (PubChem CID 120561480) has the molecular formula C14H21Cl3N2O2 and a molecular weight of 355.69 g/mol. Its IUPAC name is 4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride
PubChem CID120561480
Molecular FormulaC14H21Cl3N2O2
Molecular Weight355.69 g/mol
Exact Mass354.07
IUPAC Name4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCCCOc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C14H20Cl2N2O2.ClH/c1-10(17)3-6-14(19)18-7-2-8-20-13-5-4-11(15)9-12(13)16;/h4-5,9-10H,2-3,6-8,17H2,1H3,(H,18,19);1H
InChIKeyBQEMUNDBGSQWTK-UHFFFAOYSA-N
XLogP3.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.69
LogP ≤ 53.43
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

N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119498285
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide
CID 119306648
(2S)-2-amino-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119306639
4-[2-(2,4-dichlorophenoxy)ethylamino]-4-oxobutanoic acid
CID 9156378
N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
CID 119499643
N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119754516
4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide
CID 60550353
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide
CID 3619651
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride (CID 120561480) is 4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride is CC(N)CCC(=O)NCCCOc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride?
The InChIKey is BQEMUNDBGSQWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2.ClH/c1-10(17)3-6-14(19)18-7-2-8-20-13-5-4-11(15)9-12(13)16;/h4-5,9-10H,2-3,6-8,17H2,1H3,(H,18,19);1H.
What are the key properties of 4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride?
4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride has a molecular weight of 355.69 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride is sourced from PubChem (CID 120561480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).