N-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide

C14H22N2O2 — CID 115267653

IUPACN-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N(C)CC(C)CN)cc1
InChIInChI=1S/C14H22N2O2/c1-11-4-6-13(7-5-11)18-10-14(17)16(3)9-12(2)8-15/h4-7,12H,8-10,15H2,1-3H3
InChIKeyZWEZIRMADUHORA-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.43
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide

N-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide (PubChem CID 115267653) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide
PubChem CID115267653
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N(C)CC(C)CN)cc1
InChIInChI=1S/C14H22N2O2/c1-11-4-6-13(7-5-11)18-10-14(17)16(3)9-12(2)8-15/h4-7,12H,8-10,15H2,1-3H3
InChIKeyZWEZIRMADUHORA-UHFFFAOYSA-N
XLogP1.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide
CID 62334405
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid
CID 62626374
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methyl-N-(2-methylbutyl)acetamide
CID 43296221
N-methoxy-N-methyl-2-(4-methylphenoxy)acetamide
CID 59178255
2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid
CID 60829574
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide
CID 78791448
N-(2,6-dimethylphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9437519
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
2-(4-acetylphenoxy)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054389
2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
CID 82325608
3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid
CID 122111906
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide
CID 81075390

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide (CID 115267653) is N-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)N(C)CC(C)CN)cc1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide?
The InChIKey is ZWEZIRMADUHORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-4-6-13(7-5-11)18-10-14(17)16(3)9-12(2)8-15/h4-7,12H,8-10,15H2,1-3H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide?
N-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-methyl-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 115267653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).