ethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate

C18H29NO2 — CID 114868091

IUPACethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate
SMILESCCOC(=O)C(CC(C)C)(CC(C)C)Nc1ccccc1
InChIInChI=1S/C18H29NO2/c1-6-21-17(20)18(12-14(2)3,13-15(4)5)19-16-10-8-7-9-11-16/h7-11,14-15,19H,6,12-13H2,1-5H3
InChIKeyKYFGBKQDMLYLAU-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.49
Rot. Bonds8

About ethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate

ethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate (PubChem CID 114868091) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is ethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate.

Molecular Properties

Compound Nameethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate
PubChem CID114868091
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Nameethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate
SMILESCCOC(=O)C(CC(C)C)(CC(C)C)Nc1ccccc1
InChIInChI=1S/C18H29NO2/c1-6-21-17(20)18(12-14(2)3,13-15(4)5)19-16-10-8-7-9-11-16/h7-11,14-15,19H,6,12-13H2,1-5H3
InChIKeyKYFGBKQDMLYLAU-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-anilino-2-tert-butylperoxy-3-hydroxybutanedioate
CID 135036108
ethyl 2-(4-bromoanilino)-2-ethyl-4-methylhexanoate
CID 63526210
ethyl 2-(3-chloroanilino)-2-ethyl-4-methylhexanoate
CID 63526029
ethyl 2-(4-methoxyanilino)-2-propylpentanoate
CID 60991340
ethyl 2-(3-methylanilino)-2-propylpentanoate
CID 63525337
2-anilino-2-ethyl-4-methylhexanamide
CID 54889196
ethyl (2S)-2-acetamido-2-ethyl-4-methylpentanoate
CID 12042577
2-ethoxycarbonyl-2-(2-fluorophenyl)-4-methylpentanoic acid
CID 103974974
ethyl 2-anilino-2-methylheptanoate
CID 80558019
ethyl (2R)-2-acetamido-2-anilino-3,3,3-trifluoropropanoate
CID 7037296
ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate
CID 59200602
ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate
CID 65233940

Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate?
The IUPAC name of ethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate (CID 114868091) is ethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate.
What is the SMILES notation for ethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate?
The canonical SMILES for ethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate is CCOC(=O)C(CC(C)C)(CC(C)C)Nc1ccccc1.
What is the InChIKey of ethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate?
The InChIKey is KYFGBKQDMLYLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-21-17(20)18(12-14(2)3,13-15(4)5)19-16-10-8-7-9-11-16/h7-11,14-15,19H,6,12-13H2,1-5H3.
What are the key properties of ethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate?
ethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate has a molecular weight of 291.44 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate is sourced from PubChem (CID 114868091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).