N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride

C18H31ClN2O2 — CID 119607652

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
SMILESCCCOc1ccc(CCC(=O)NC(C)(CN)C(C)C)cc1.Cl
InChIInChI=1S/C18H30N2O2.ClH/c1-5-12-22-16-9-6-15(7-10-16)8-11-17(21)20-18(4,13-19)14(2)3;/h6-7,9-10,14H,5,8,11-13,19H2,1-4H3,(H,20,21);1H
InChIKeyURLDYLKDDRJSSU-UHFFFAOYSA-N
MW342.91 g/mol
LogP3.32
Rot. Bonds9

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride (PubChem CID 119607652) has the molecular formula C18H31ClN2O2 and a molecular weight of 342.91 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
PubChem CID119607652
Molecular FormulaC18H31ClN2O2
Molecular Weight342.91 g/mol
Exact Mass342.21
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
SMILESCCCOc1ccc(CCC(=O)NC(C)(CN)C(C)C)cc1.Cl
InChIInChI=1S/C18H30N2O2.ClH/c1-5-12-22-16-9-6-15(7-10-16)8-11-17(21)20-18(4,13-19)14(2)3;/h6-7,9-10,14H,5,8,11-13,19H2,1-4H3,(H,20,21);1H
InChIKeyURLDYLKDDRJSSU-UHFFFAOYSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[3-(4-propoxyphenyl)propanoylamino]propanoic acid
CID 119187557
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride
CID 119605619
N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide
CID 119605778
4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide
CID 119605954
N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119497823
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119608263
N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide
CID 119502671
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 119606440
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride
CID 119607381
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119608481
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119606091
N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride
CID 119606115

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride (CID 119607652) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride is CCCOc1ccc(CCC(=O)NC(C)(CN)C(C)C)cc1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride?
The InChIKey is URLDYLKDDRJSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2.ClH/c1-5-12-22-16-9-6-15(7-10-16)8-11-17(21)20-18(4,13-19)14(2)3;/h6-7,9-10,14H,5,8,11-13,19H2,1-4H3,(H,20,21);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride has a molecular weight of 342.91 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119607652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).