methyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate

C17H27NO2 — CID 43689048

IUPACmethyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(C)c1ccc(C)cc1C
InChIInChI=1S/C17H27NO2/c1-11(2)9-16(17(19)20-6)18-14(5)15-8-7-12(3)10-13(15)4/h7-8,10-11,14,16,18H,9H2,1-6H3
InChIKeyQJGIAJZHCVEMFA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.54
Rot. Bonds6

About methyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate

methyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate (PubChem CID 43689048) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is methyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate
PubChem CID43689048
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Namemethyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(C)c1ccc(C)cc1C
InChIInChI=1S/C17H27NO2/c1-11(2)9-16(17(19)20-6)18-14(5)15-8-7-12(3)10-13(15)4/h7-8,10-11,14,16,18H,9H2,1-6H3
InChIKeyQJGIAJZHCVEMFA-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,4-dimethylphenyl)ethylamino]butanoic acid
CID 115353088
methyl 2-[1-(2,5-dichlorophenyl)ethylamino]-4-methylpentanoate
CID 43688973
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 46828992
methyl (2S)-2-[(2,5-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 942819
methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate
CID 43139725
methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
CID 43689060
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate
CID 115352551
methyl (2S)-2-[(2-amino-5-methylbenzoyl)amino]-4-methylpentanoate
CID 103954859
2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
CID 79346636
methyl 2-(2,4-dimethylphenyl)butanoate
CID 62802002
methyl 4-methyl-2-[(2,4,6-trimethylphenyl)methylamino]pentanoate
CID 43688936
methyl 2-bromo-2-(2,4-dimethylphenyl)acetate
CID 23510843

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate?
The IUPAC name of methyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate (CID 43689048) is methyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(C)c1ccc(C)cc1C.
What is the InChIKey of methyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate?
The InChIKey is QJGIAJZHCVEMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-11(2)9-16(17(19)20-6)18-14(5)15-8-7-12(3)10-13(15)4/h7-8,10-11,14,16,18H,9H2,1-6H3.
What are the key properties of methyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate?
methyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate has a molecular weight of 277.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate is sourced from PubChem (CID 43689048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).