N-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide

C14H21ClN2O2 — CID 119584023

IUPACN-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
SMILESCc1cc(OC(C)C(=O)N(C)C(C)CN)ccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-9-7-12(5-6-13(9)15)19-11(3)14(18)17(4)10(2)8-16/h5-7,10-11H,8,16H2,1-4H3
InChIKeyLRIZVISJPFOUHU-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.22
Rot. Bonds5

About N-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide

N-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide (PubChem CID 119584023) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
PubChem CID119584023
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
SMILESCc1cc(OC(C)C(=O)N(C)C(C)CN)ccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-9-7-12(5-6-13(9)15)19-11(3)14(18)17(4)10(2)8-16/h5-7,10-11H,8,16H2,1-4H3
InChIKeyLRIZVISJPFOUHU-UHFFFAOYSA-N
XLogP2.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 119584481
N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide
CID 119584955
N-(3-amino-2,2-dimethylpropyl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
CID 119655638
3-[2-(4-chloro-3-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228830
N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride
CID 119584143
2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride
CID 119581712
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
CID 55825188
N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-2-phenoxypropanamide
CID 23724236
N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide
CID 119583428
2-(4-chloro-3-methylphenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53288784
N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride
CID 119583700
5-[2-(4-chloro-3-methylphenoxy)propanoylamino]pentanoic acid
CID 119235299

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide (CID 119584023) is N-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide is Cc1cc(OC(C)C(=O)N(C)C(C)CN)ccc1Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide?
The InChIKey is LRIZVISJPFOUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9-7-12(5-6-13(9)15)19-11(3)14(18)17(4)10(2)8-16/h5-7,10-11H,8,16H2,1-4H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide?
N-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide has a molecular weight of 284.79 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide is sourced from PubChem (CID 119584023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).