methyl 2-(2-methylanilino)nonanoate

C17H27NO2 — CID 63523567

IUPACmethyl 2-(2-methylanilino)nonanoate
SMILESCCCCCCCC(Nc1ccccc1C)C(=O)OC
InChIInChI=1S/C17H27NO2/c1-4-5-6-7-8-13-16(17(19)20-3)18-15-12-10-9-11-14(15)2/h9-12,16,18H,4-8,13H2,1-3H3
InChIKeyYBPDXIDZBIERPX-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.31
Rot. Bonds9

About methyl 2-(2-methylanilino)nonanoate

methyl 2-(2-methylanilino)nonanoate (PubChem CID 63523567) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is methyl 2-(2-methylanilino)nonanoate.

Molecular Properties

Compound Namemethyl 2-(2-methylanilino)nonanoate
PubChem CID63523567
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Namemethyl 2-(2-methylanilino)nonanoate
SMILESCCCCCCCC(Nc1ccccc1C)C(=O)OC
InChIInChI=1S/C17H27NO2/c1-4-5-6-7-8-13-16(17(19)20-3)18-15-12-10-9-11-14(15)2/h9-12,16,18H,4-8,13H2,1-3H3
InChIKeyYBPDXIDZBIERPX-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.31
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

ethyl 2-(2-methylanilino)nonanoate
CID 63523920
methyl 2-anilinooctanoate
CID 54889679
(3S)-4-methoxy-3-(2-methylanilino)-4-oxobutane-1-sulfonic acid
CID 87372458
ethyl 2-(2-fluoroanilino)heptanoate
CID 54890514
ethyl (2R)-2-anilinotridecanoate
CID 155931058
ethyl 4-methoxy-4-methyl-2-(2-methylanilino)pentanoate
CID 106675948
methyl 2-(4-chloroanilino)octanoate
CID 63525918
ethyl 2-(2-methylanilino)pent-4-enoate
CID 132607090
2-(2-phenylanilino)decanoic acid
CID 172791149
2-(2-chloroanilino)nonanoic acid
CID 63524442
methyl 2-(4-fluoroanilino)hexanoate
CID 61353749
methyl (2R)-2-methyltetradecanoate
CID 163045577

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylanilino)nonanoate?
The IUPAC name of methyl 2-(2-methylanilino)nonanoate (CID 63523567) is methyl 2-(2-methylanilino)nonanoate.
What is the SMILES notation for methyl 2-(2-methylanilino)nonanoate?
The canonical SMILES for methyl 2-(2-methylanilino)nonanoate is CCCCCCCC(Nc1ccccc1C)C(=O)OC.
What is the InChIKey of methyl 2-(2-methylanilino)nonanoate?
The InChIKey is YBPDXIDZBIERPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-5-6-7-8-13-16(17(19)20-3)18-15-12-10-9-11-14(15)2/h9-12,16,18H,4-8,13H2,1-3H3.
What are the key properties of methyl 2-(2-methylanilino)nonanoate?
methyl 2-(2-methylanilino)nonanoate has a molecular weight of 277.41 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylanilino)nonanoate is sourced from PubChem (CID 63523567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).