methyl 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanoate

C22H30N2O2 — CID 3040821

IUPACmethyl 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanoate
SMILESCOC(=O)C(CCN(C(C)C)C(C)C)(c1ccccc1)c1ccccn1
InChIInChI=1S/C22H30N2O2/c1-17(2)24(18(3)4)16-14-22(21(25)26-5,19-11-7-6-8-12-19)20-13-9-10-15-23-20/h6-13,15,17-18H,14,16H2,1-5H3
InChIKeyVIJVPBZKBFZYRB-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.05
Rot. Bonds8

About methyl 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanoate

methyl 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanoate (PubChem CID 3040821) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is methyl 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanoate.

Molecular Properties

Compound Namemethyl 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanoate
PubChem CID3040821
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Namemethyl 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanoate
SMILESCOC(=O)C(CCN(C(C)C)C(C)C)(c1ccccc1)c1ccccn1
InChIInChI=1S/C22H30N2O2/c1-17(2)24(18(3)4)16-14-22(21(25)26-5,19-11-7-6-8-12-19)20-13-9-10-15-23-20/h6-13,15,17-18H,14,16H2,1-5H3
InChIKeyVIJVPBZKBFZYRB-UHFFFAOYSA-N
XLogP4.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanoate?
The IUPAC name of methyl 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanoate (CID 3040821) is methyl 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanoate.
What is the SMILES notation for methyl 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanoate?
The canonical SMILES for methyl 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanoate is COC(=O)C(CCN(C(C)C)C(C)C)(c1ccccc1)c1ccccn1.
What is the InChIKey of methyl 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanoate?
The InChIKey is VIJVPBZKBFZYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-17(2)24(18(3)4)16-14-22(21(25)26-5,19-11-7-6-8-12-19)20-13-9-10-15-23-20/h6-13,15,17-18H,14,16H2,1-5H3.
What are the key properties of methyl 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanoate?
methyl 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanoate has a molecular weight of 354.49 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanoate is sourced from PubChem (CID 3040821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).