methyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate

C16H25NO2 — CID 43679208

IUPACmethyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(C)CCC(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)6-8-13(4)17-15-9-7-12(3)10-14(15)16(18)19-5/h7,9-11,13,17H,6,8H2,1-5H3
InChIKeyLIEYZQSVODGOOT-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.02
Rot. Bonds6

About methyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate

methyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate (PubChem CID 43679208) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is methyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate
PubChem CID43679208
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namemethyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(C)CCC(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)6-8-13(4)17-15-9-7-12(3)10-14(15)16(18)19-5/h7,9-11,13,17H,6,8H2,1-5H3
InChIKeyLIEYZQSVODGOOT-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(heptan-2-ylamino)-5-methylbenzoate
CID 43679128
5-methyl-2-(5-methylhexan-2-ylamino)benzenecarbothioamide
CID 107929010
methyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate
CID 43679229
methyl 5-amino-2-(4-methoxybutan-2-ylamino)benzoate
CID 64603091
methyl 5-methyl-2-(2-methylbutylamino)benzoate
CID 43679143
methyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60842005
methyl 2-[(2-amino-4-methylpentanoyl)amino]-5-methylbenzoate
CID 43701493
methyl 2-[[(2R)-2-aminopropanoyl]amino]-5-methylbenzoate
CID 54991021
methyl 5-methyl-2-(2-propylpentanoylamino)benzoate
CID 82989755
methyl 5-fluoro-2-(heptan-2-ylamino)benzoate
CID 43735422
methyl 5-fluoro-2-(1-methoxypropan-2-ylamino)benzoate
CID 62536813
methyl 2-(dimethylsulfamoylamino)-5-methylbenzoate
CID 43624406

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate?
The IUPAC name of methyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate (CID 43679208) is methyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate.
What is the SMILES notation for methyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate?
The canonical SMILES for methyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate is COC(=O)c1cc(C)ccc1NC(C)CCC(C)C.
What is the InChIKey of methyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate?
The InChIKey is LIEYZQSVODGOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)6-8-13(4)17-15-9-7-12(3)10-14(15)16(18)19-5/h7,9-11,13,17H,6,8H2,1-5H3.
What are the key properties of methyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate?
methyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate has a molecular weight of 263.38 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate is sourced from PubChem (CID 43679208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).