ethyl 2-(3-methylanilino)-2-propylpentanoate

C17H27NO2 — CID 63525337

IUPACethyl 2-(3-methylanilino)-2-propylpentanoate
SMILESCCCC(CCC)(Nc1cccc(C)c1)C(=O)OCC
InChIInChI=1S/C17H27NO2/c1-5-11-17(12-6-2,16(19)20-7-3)18-15-10-8-9-14(4)13-15/h8-10,13,18H,5-7,11-12H2,1-4H3
InChIKeyMIASSNIXIPHHSW-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.31
Rot. Bonds8

About ethyl 2-(3-methylanilino)-2-propylpentanoate

ethyl 2-(3-methylanilino)-2-propylpentanoate (PubChem CID 63525337) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is ethyl 2-(3-methylanilino)-2-propylpentanoate.

Molecular Properties

Compound Nameethyl 2-(3-methylanilino)-2-propylpentanoate
PubChem CID63525337
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nameethyl 2-(3-methylanilino)-2-propylpentanoate
SMILESCCCC(CCC)(Nc1cccc(C)c1)C(=O)OCC
InChIInChI=1S/C17H27NO2/c1-5-11-17(12-6-2,16(19)20-7-3)18-15-10-8-9-14(4)13-15/h8-10,13,18H,5-7,11-12H2,1-4H3
InChIKeyMIASSNIXIPHHSW-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Analyze ethyl 2-(3-methylanilino)-2-propylpentanoate 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

ethyl 2-(4-methoxyanilino)-2-propylpentanoate
CID 60991340
ethyl (2R)-2-(3-methylanilino)propanoate
CID 102078711
ethyl 2-(3-fluoroanilino)-2-methylpentanoate
CID 54890603
methyl 2-methyl-2-(3-methylanilino)octanoate
CID 63524625
methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate
CID 79049647
ethyl (2S)-2-benzamido-3,3,3-trifluoro-2-(3-methylanilino)propanoate
CID 7037329
ethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868091
ethyl 3-methyl-2-(3-methylanilino)butanoate
CID 61318293
methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate
CID 62535893
2-methyl-2-(3-methylanilino)nonanoic acid
CID 60994073
ethyl 2-(3-chloroanilino)-2-ethyl-4-methylhexanoate
CID 63526029
methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate
CID 60994642

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylanilino)-2-propylpentanoate?
The IUPAC name of ethyl 2-(3-methylanilino)-2-propylpentanoate (CID 63525337) is ethyl 2-(3-methylanilino)-2-propylpentanoate.
What is the SMILES notation for ethyl 2-(3-methylanilino)-2-propylpentanoate?
The canonical SMILES for ethyl 2-(3-methylanilino)-2-propylpentanoate is CCCC(CCC)(Nc1cccc(C)c1)C(=O)OCC.
What is the InChIKey of ethyl 2-(3-methylanilino)-2-propylpentanoate?
The InChIKey is MIASSNIXIPHHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-11-17(12-6-2,16(19)20-7-3)18-15-10-8-9-14(4)13-15/h8-10,13,18H,5-7,11-12H2,1-4H3.
What are the key properties of ethyl 2-(3-methylanilino)-2-propylpentanoate?
ethyl 2-(3-methylanilino)-2-propylpentanoate has a molecular weight of 277.41 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylanilino)-2-propylpentanoate is sourced from PubChem (CID 63525337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).