methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate

C14H22N2O2 — CID 113297784

IUPACmethyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-10-6-7-12(8-13(10)16(3)4)15-9-11(2)14(17)18-5/h6-8,11,15H,9H2,1-5H3
InChIKeyHSPNFPKHXROJDQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.28
Rot. Bonds5

About methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate

methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate (PubChem CID 113297784) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate
PubChem CID113297784
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namemethyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-10-6-7-12(8-13(10)16(3)4)15-9-11(2)14(17)18-5/h6-8,11,15H,9H2,1-5H3
InChIKeyHSPNFPKHXROJDQ-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-chloro-4-methylanilino)-2-methylpropanoate
CID 43538373
methyl 3-amino-2-[3-(dimethylamino)-4-methylanilino]propanoate
CID 114242330
1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol
CID 115378094
2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylpropyl)acetamide
CID 115378145
1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990318
methyl 4-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316695
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylpropanoate
CID 43538500
3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine
CID 115376642
methyl 3-(4-chloro-3-methoxyanilino)-2-methylpropanoate
CID 107621442
N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide
CID 113297775
2-[3-(dimethylamino)-4-methylanilino]butanamide
CID 113297760
methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate
CID 103234166

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate?
The IUPAC name of methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate (CID 113297784) is methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate is COC(=O)C(C)CNc1ccc(C)c(N(C)C)c1.
What is the InChIKey of methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate?
The InChIKey is HSPNFPKHXROJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-6-7-12(8-13(10)16(3)4)15-9-11(2)14(17)18-5/h6-8,11,15H,9H2,1-5H3.
What are the key properties of methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate?
methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate has a molecular weight of 250.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate is sourced from PubChem (CID 113297784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).