methyl 2-(2-methyldecylamino)benzoate

C19H31NO2 — CID 3023984

IUPACmethyl 2-(2-methyldecylamino)benzoate
SMILESCCCCCCCCC(C)CNc1ccccc1C(=O)OC
InChIInChI=1S/C19H31NO2/c1-4-5-6-7-8-9-12-16(2)15-20-18-14-11-10-13-17(18)19(21)22-3/h10-11,13-14,16,20H,4-9,12,15H2,1-3H3
InChIKeyDVEFEVWZTSDZQP-UHFFFAOYSA-N
MW305.46 g/mol
LogP5.27
Rot. Bonds11

About methyl 2-(2-methyldecylamino)benzoate

methyl 2-(2-methyldecylamino)benzoate (PubChem CID 3023984) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is methyl 2-(2-methyldecylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-methyldecylamino)benzoate
PubChem CID3023984
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Namemethyl 2-(2-methyldecylamino)benzoate
SMILESCCCCCCCCC(C)CNc1ccccc1C(=O)OC
InChIInChI=1S/C19H31NO2/c1-4-5-6-7-8-9-12-16(2)15-20-18-14-11-10-13-17(18)19(21)22-3/h10-11,13-14,16,20H,4-9,12,15H2,1-3H3
InChIKeyDVEFEVWZTSDZQP-UHFFFAOYSA-N
XLogP5.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[(2R)-octan-2-yl]amino]benzoate
CID 93257053
methyl 2-(2-hydroxypropylamino)benzoate
CID 13220321
methyl 2-(hexan-2-ylamino)benzoate
CID 43774536
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
CID 47122957
methyl 2-(2-ethylhexanoylamino)benzoate
CID 4589929
carbonic acid;methyl 2-(1-phenylhexadecyl)benzoate
CID 174362485
methyl 2-amino-3-(heptan-2-ylamino)benzoate
CID 113332721
methyl 2-(2-methylpentanoylamino)benzoate
CID 2904418
methyl 2-(oct-1-enylamino)benzoate
CID 175447057
2-methylpropyl 2-(2-methylpropylamino)benzoate
CID 19428899
1-O-methyl 2-O-tetradecyl benzene-1,2-dicarboxylate
CID 6424480
methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
CID 3539117

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyldecylamino)benzoate?
The IUPAC name of methyl 2-(2-methyldecylamino)benzoate (CID 3023984) is methyl 2-(2-methyldecylamino)benzoate.
What is the SMILES notation for methyl 2-(2-methyldecylamino)benzoate?
The canonical SMILES for methyl 2-(2-methyldecylamino)benzoate is CCCCCCCCC(C)CNc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-(2-methyldecylamino)benzoate?
The InChIKey is DVEFEVWZTSDZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-4-5-6-7-8-9-12-16(2)15-20-18-14-11-10-13-17(18)19(21)22-3/h10-11,13-14,16,20H,4-9,12,15H2,1-3H3.
What are the key properties of methyl 2-(2-methyldecylamino)benzoate?
methyl 2-(2-methyldecylamino)benzoate has a molecular weight of 305.46 g/mol, XLogP of 5.27, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyldecylamino)benzoate is sourced from PubChem (CID 3023984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).