2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride

C16H27ClN2O2 — CID 119298347

IUPAC2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)N(C)CCCOc1ccccc1C.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-4-8-14(17)16(19)18(3)11-7-12-20-15-10-6-5-9-13(15)2;/h5-6,9-10,14H,4,7-8,11-12,17H2,1-3H3;1H
InChIKeyAIHGUAZOXIGVTJ-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.77
Rot. Bonds8

About 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride

2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride (PubChem CID 119298347) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride
PubChem CID119298347
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)N(C)CCCOc1ccccc1C.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-4-8-14(17)16(19)18(3)11-7-12-20-15-10-6-5-9-13(15)2;/h5-6,9-10,14H,4,7-8,11-12,17H2,1-3H3;1H
InChIKeyAIHGUAZOXIGVTJ-UHFFFAOYSA-N
XLogP2.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide
CID 119298348
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 54869691
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368342
(2R)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpentanamide
CID 93368335
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368341
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119944826
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide;hydrochloride
CID 119306190
2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide
CID 119344793
4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119298341
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide
CID 107569740
N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride
CID 119661185

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride (CID 119298347) is 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride is CCCC(N)C(=O)N(C)CCCOc1ccccc1C.Cl.
What is the InChIKey of 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride?
The InChIKey is AIHGUAZOXIGVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-4-8-14(17)16(19)18(3)11-7-12-20-15-10-6-5-9-13(15)2;/h5-6,9-10,14H,4,7-8,11-12,17H2,1-3H3;1H.
What are the key properties of 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride?
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride is sourced from PubChem (CID 119298347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).