N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride

C17H29ClN2O2 — CID 119995526

IUPACN-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride
SMILESCC(CN)CNC(=O)C(C)Oc1cccc(C(C)(C)C)c1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-12(10-18)11-19-16(20)13(2)21-15-8-6-7-14(9-15)17(3,4)5;/h6-9,12-13H,10-11,18H2,1-5H3,(H,19,20);1H
InChIKeyQCAUELNQZGYGJX-UHFFFAOYSA-N
MW328.88 g/mol
LogP2.88
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride

N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride (PubChem CID 119995526) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride
PubChem CID119995526
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC NameN-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride
SMILESCC(CN)CNC(=O)C(C)Oc1cccc(C(C)(C)C)c1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-12(10-18)11-19-16(20)13(2)21-15-8-6-7-14(9-15)17(3,4)5;/h6-9,12-13H,10-11,18H2,1-5H3,(H,19,20);1H
InChIKeyQCAUELNQZGYGJX-UHFFFAOYSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide
CID 119997217
2-(3-tert-butylphenoxy)-N-prop-2-ynylpropanamide
CID 47144757
N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 55770987
N-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide
CID 120604154
N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide
CID 119625770
methyl 3-[2-(3-tert-butylphenoxy)propanoylamino]butanoate
CID 60559643
N-(2,2-diphenylpropyl)-2-(3-methylphenoxy)propanamide
CID 18272008
2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide
CID 55774306
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119626548
2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119387262
(2R)-2-(3-tert-butylphenoxy)-N-[[1-[(2S)-4-hydroxybutan-2-yl]cyclobutyl]methyl]propanamide
CID 97258974

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride (CID 119995526) is N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride is CC(CN)CNC(=O)C(C)Oc1cccc(C(C)(C)C)c1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride?
The InChIKey is QCAUELNQZGYGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-12(10-18)11-19-16(20)13(2)21-15-8-6-7-14(9-15)17(3,4)5;/h6-9,12-13H,10-11,18H2,1-5H3,(H,19,20);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride?
N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119995526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).