ethyl 2-(2-methylanilino)nonanoate

C18H29NO2 — CID 63523920

IUPACethyl 2-(2-methylanilino)nonanoate
SMILESCCCCCCCC(Nc1ccccc1C)C(=O)OCC
InChIInChI=1S/C18H29NO2/c1-4-6-7-8-9-14-17(18(20)21-5-2)19-16-13-11-10-12-15(16)3/h10-13,17,19H,4-9,14H2,1-3H3
InChIKeyUQETXDPRHAPBBC-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.70
Rot. Bonds10

About ethyl 2-(2-methylanilino)nonanoate

ethyl 2-(2-methylanilino)nonanoate (PubChem CID 63523920) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is ethyl 2-(2-methylanilino)nonanoate.

Molecular Properties

Compound Nameethyl 2-(2-methylanilino)nonanoate
PubChem CID63523920
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Nameethyl 2-(2-methylanilino)nonanoate
SMILESCCCCCCCC(Nc1ccccc1C)C(=O)OCC
InChIInChI=1S/C18H29NO2/c1-4-6-7-8-9-14-17(18(20)21-5-2)19-16-13-11-10-12-15(16)3/h10-13,17,19H,4-9,14H2,1-3H3
InChIKeyUQETXDPRHAPBBC-UHFFFAOYSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.70
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-(2-methylanilino)nonanoate
CID 63523567
ethyl 2-(2-fluoroanilino)heptanoate
CID 54890514
ethyl (2R)-2-anilinotridecanoate
CID 155931058
ethyl 2-(2-methylanilino)pent-4-enoate
CID 132607090
ethyl 4-methoxy-4-methyl-2-(2-methylanilino)pentanoate
CID 106675948
ethyl 2-(2-bromoanilino)pentanoate
CID 54890587
methyl 2-anilinooctanoate
CID 54889679
(3S)-4-methoxy-3-(2-methylanilino)-4-oxobutane-1-sulfonic acid
CID 87372458
ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate
CID 61324566
2-(2-phenylanilino)decanoic acid
CID 172791149
2-(2-chloroanilino)nonanoic acid
CID 63524442
2-(2-methylanilino)-N-pentylpropanamide
CID 43113317

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylanilino)nonanoate?
The IUPAC name of ethyl 2-(2-methylanilino)nonanoate (CID 63523920) is ethyl 2-(2-methylanilino)nonanoate.
What is the SMILES notation for ethyl 2-(2-methylanilino)nonanoate?
The canonical SMILES for ethyl 2-(2-methylanilino)nonanoate is CCCCCCCC(Nc1ccccc1C)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-methylanilino)nonanoate?
The InChIKey is UQETXDPRHAPBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-6-7-8-9-14-17(18(20)21-5-2)19-16-13-11-10-12-15(16)3/h10-13,17,19H,4-9,14H2,1-3H3.
What are the key properties of ethyl 2-(2-methylanilino)nonanoate?
ethyl 2-(2-methylanilino)nonanoate has a molecular weight of 291.44 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylanilino)nonanoate is sourced from PubChem (CID 63523920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).