2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-ethylpropanamide;hydrochloride

C17H29ClN2O2 — CID 90674131

IUPAC2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-ethylpropanamide;hydrochloride
SMILESCCCCOc1cc(C)c(N(CC)C(=O)C(C)N)c(C)c1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-6-8-9-21-15-10-12(3)16(13(4)11-15)19(7-2)17(20)14(5)18;/h10-11,14H,6-9,18H2,1-5H3;1H
InChIKeyWGARKOGCICYMLI-UHFFFAOYSA-N
MW328.88 g/mol
LogP3.60
Rot. Bonds7

About 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-ethylpropanamide;hydrochloride

2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-ethylpropanamide;hydrochloride (PubChem CID 90674131) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-ethylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-ethylpropanamide;hydrochloride
PubChem CID90674131
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC Name2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-ethylpropanamide;hydrochloride
SMILESCCCCOc1cc(C)c(N(CC)C(=O)C(C)N)c(C)c1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-6-8-9-21-15-10-12(3)16(13(4)11-15)19(7-2)17(20)14(5)18;/h10-11,14H,6-9,18H2,1-5H3;1H
InChIKeyWGARKOGCICYMLI-UHFFFAOYSA-N
XLogP3.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 53.60
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-(4-butoxy-2,6-dimethylphenyl)-N-methylpropanamide;hydrochloride
CID 90674130
2-amino-N-(2,6-dimethyl-4-propoxyphenyl)-N-methylpropanamide
CID 12539363
4-butoxy-2,6-dimethylbenzenethiol
CID 91655340
ethyl 4-butoxy-2-hydroxy-6-methylbenzoate
CID 10999530
3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride
CID 119739467
(4-butoxy-3,5-dimethylphenyl) acetate
CID 91036893
(2R)-2-amino-N-ethyl-N-(4-methylphenyl)propanamide
CID 78979225
propan-2-yl 2,6-dimethyl-4-propoxybenzoate
CID 82552444
1,3,5-tributoxybenzene
CID 15933337
6-[4-(2-aminopropanoylamino)-3,5-dimethylphenoxy]hexyl nitrate;hydrochloride
CID 70499590
4-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol
CID 175396015
N-(2-aminopropyl)-4-butoxy-N-methylbenzamide
CID 63753762

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-ethylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-ethylpropanamide;hydrochloride (CID 90674131) is 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-ethylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-ethylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-ethylpropanamide;hydrochloride is CCCCOc1cc(C)c(N(CC)C(=O)C(C)N)c(C)c1.Cl.
What is the InChIKey of 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-ethylpropanamide;hydrochloride?
The InChIKey is WGARKOGCICYMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-6-8-9-21-15-10-12(3)16(13(4)11-15)19(7-2)17(20)14(5)18;/h10-11,14H,6-9,18H2,1-5H3;1H.
What are the key properties of 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-ethylpropanamide;hydrochloride?
2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-ethylpropanamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-butoxy-2,6-dimethylphenyl)-N-ethylpropanamide;hydrochloride is sourced from PubChem (CID 90674131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).