N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride

C17H29ClN2O2 — CID 119606176

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
SMILESCC(C)Oc1cccc(CC(=O)NC(C)(CN)C(C)C)c1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-12(2)17(5,11-18)19-16(20)10-14-7-6-8-15(9-14)21-13(3)4;/h6-9,12-13H,10-11,18H2,1-5H3,(H,19,20);1H
InChIKeyMMVPRLBIVNLTKB-UHFFFAOYSA-N
MW328.88 g/mol
LogP2.93
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride (PubChem CID 119606176) 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)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
PubChem CID119606176
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
SMILESCC(C)Oc1cccc(CC(=O)NC(C)(CN)C(C)C)c1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-12(2)17(5,11-18)19-16(20)10-14-7-6-8-15(9-14)21-13(3)4;/h6-9,12-13H,10-11,18H2,1-5H3,(H,19,20);1H
InChIKeyMMVPRLBIVNLTKB-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119626689
N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119405627
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 81486693
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenoxyacetamide;hydrochloride
CID 119605895
(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119606053
N-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119607062
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119606927
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride
CID 119607381
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
CID 119606160
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenoxypropanamide
CID 119608690

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride (CID 119606176) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride is CC(C)Oc1cccc(CC(=O)NC(C)(CN)C(C)C)c1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride?
The InChIKey is MMVPRLBIVNLTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-12(2)17(5,11-18)19-16(20)10-14-7-6-8-15(9-14)21-13(3)4;/h6-9,12-13H,10-11,18H2,1-5H3,(H,19,20);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 2.93, 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)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119606176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).