ethyl 6-[(3-methyl-2-pyridinyl)amino]-6-phenylhexanoate

C20H26N2O2 — CID 134824203

IUPACethyl 6-[(3-methyl-2-pyridinyl)amino]-6-phenylhexanoate
SMILESCCOC(=O)CCCCC(Nc1ncccc1C)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-3-24-19(23)14-8-7-13-18(17-11-5-4-6-12-17)22-20-16(2)10-9-15-21-20/h4-6,9-12,15,18H,3,7-8,13-14H2,1-2H3,(H,21,22)
InChIKeyMFKDRKAQSMEYOI-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.67
Rot. Bonds9

About ethyl 6-[(3-methyl-2-pyridinyl)amino]-6-phenylhexanoate

ethyl 6-[(3-methyl-2-pyridinyl)amino]-6-phenylhexanoate (PubChem CID 134824203) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is ethyl 6-[(3-methyl-2-pyridinyl)amino]-6-phenylhexanoate.

Molecular Properties

Compound Nameethyl 6-[(3-methyl-2-pyridinyl)amino]-6-phenylhexanoate
PubChem CID134824203
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Nameethyl 6-[(3-methyl-2-pyridinyl)amino]-6-phenylhexanoate
SMILESCCOC(=O)CCCCC(Nc1ncccc1C)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-3-24-19(23)14-8-7-13-18(17-11-5-4-6-12-17)22-20-16(2)10-9-15-21-20/h4-6,9-12,15,18H,3,7-8,13-14H2,1-2H3,(H,21,22)
InChIKeyMFKDRKAQSMEYOI-UHFFFAOYSA-N
XLogP4.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(3-methyl-2-pyridinyl)amino]-6-phenylhexanoate?
The IUPAC name of ethyl 6-[(3-methyl-2-pyridinyl)amino]-6-phenylhexanoate (CID 134824203) is ethyl 6-[(3-methyl-2-pyridinyl)amino]-6-phenylhexanoate.
What is the SMILES notation for ethyl 6-[(3-methyl-2-pyridinyl)amino]-6-phenylhexanoate?
The canonical SMILES for ethyl 6-[(3-methyl-2-pyridinyl)amino]-6-phenylhexanoate is CCOC(=O)CCCCC(Nc1ncccc1C)c1ccccc1.
What is the InChIKey of ethyl 6-[(3-methyl-2-pyridinyl)amino]-6-phenylhexanoate?
The InChIKey is MFKDRKAQSMEYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-24-19(23)14-8-7-13-18(17-11-5-4-6-12-17)22-20-16(2)10-9-15-21-20/h4-6,9-12,15,18H,3,7-8,13-14H2,1-2H3,(H,21,22).
What are the key properties of ethyl 6-[(3-methyl-2-pyridinyl)amino]-6-phenylhexanoate?
ethyl 6-[(3-methyl-2-pyridinyl)amino]-6-phenylhexanoate has a molecular weight of 326.44 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(3-methyl-2-pyridinyl)amino]-6-phenylhexanoate is sourced from PubChem (CID 134824203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).