N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride

C16H25ClN2O2 — CID 119573205

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride
SMILESCc1ccc(OCC(=O)NC(C)(CN)C2CC2)cc1C.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-4-7-14(8-12(11)2)20-9-15(19)18-16(3,10-17)13-5-6-13;/h4,7-8,13H,5-6,9-10,17H2,1-3H3,(H,18,19);1H
InChIKeyAGTOFFLZYRYKHU-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.35
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride (PubChem CID 119573205) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride
PubChem CID119573205
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride
SMILESCc1ccc(OCC(=O)NC(C)(CN)C2CC2)cc1C.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-4-7-14(8-12(11)2)20-9-15(19)18-16(3,10-17)13-5-6-13;/h4,7-8,13H,5-6,9-10,17H2,1-3H3,(H,18,19);1H
InChIKeyAGTOFFLZYRYKHU-UHFFFAOYSA-N
XLogP2.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119572727
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-fluorophenoxy)acetamide;hydrochloride
CID 119572196
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 119574676
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
CID 119572869
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119575673
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923303
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119572342
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119573576
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 64672867
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide
CID 119575859
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 119572344

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride (CID 119573205) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride is Cc1ccc(OCC(=O)NC(C)(CN)C2CC2)cc1C.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride?
The InChIKey is AGTOFFLZYRYKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-11-4-7-14(8-12(11)2)20-9-15(19)18-16(3,10-17)13-5-6-13;/h4,7-8,13H,5-6,9-10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119573205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).