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

C17H29ClN2O2 — CID 119608882

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
SMILESCc1cccc(OCCC(=O)NC(C)(CN)C(C)C)c1C.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-12(2)17(5,11-18)19-16(20)9-10-21-15-8-6-7-13(3)14(15)4;/h6-8,12H,9-11,18H2,1-5H3,(H,19,20);1H
InChIKeyXJWRWIPNXHLHBF-UHFFFAOYSA-N
MW328.88 g/mol
LogP2.98
Rot. Bonds7

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

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride (PubChem CID 119608882) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
PubChem CID119608882
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
SMILESCc1cccc(OCCC(=O)NC(C)(CN)C(C)C)c1C.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-12(2)17(5,11-18)19-16(20)9-10-21-15-8-6-7-13(3)14(15)4;/h6-8,12H,9-11,18H2,1-5H3,(H,19,20);1H
InChIKeyXJWRWIPNXHLHBF-UHFFFAOYSA-N
XLogP2.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide
CID 119606391
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride
CID 119605711
3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide
CID 79675927
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenylacetamide;hydrochloride
CID 119608428
N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
CID 119478904
N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583
2-[3-(2,3-dimethylphenoxy)propanoylamino]-3-methoxypropanoic acid
CID 81084679
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119607770
N-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide
CID 103770508
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenoxyacetamide;hydrochloride
CID 119605895
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-(2,3-dimethylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride (CID 119608882) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride is Cc1cccc(OCCC(=O)NC(C)(CN)C(C)C)c1C.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride?
The InChIKey is XJWRWIPNXHLHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-12(2)17(5,11-18)19-16(20)9-10-21-15-8-6-7-13(3)14(15)4;/h6-8,12H,9-11,18H2,1-5H3,(H,19,20);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 2.98, 7 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-(2,3-dimethylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119608882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).