2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-pyridin-2-ylbutanamide

C18H31N3O — CID 12923157

IUPAC2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-pyridin-2-ylbutanamide
SMILESCC(C)N(CCC(C(N)=O)(c1ccccn1)C(C)C)C(C)C
InChIInChI=1S/C18H31N3O/c1-13(2)18(17(19)22,16-9-7-8-11-20-16)10-12-21(14(3)4)15(5)6/h7-9,11,13-15H,10,12H2,1-6H3,(H2,19,22)
InChIKeyOEVAXPDBAAJZCK-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.97
Rot. Bonds8

About 2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-pyridin-2-ylbutanamide

2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-pyridin-2-ylbutanamide (PubChem CID 12923157) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-pyridin-2-ylbutanamide
PubChem CID12923157
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-pyridin-2-ylbutanamide
SMILESCC(C)N(CCC(C(N)=O)(c1ccccn1)C(C)C)C(C)C
InChIInChI=1S/C18H31N3O/c1-13(2)18(17(19)22,16-9-7-8-11-20-16)10-12-21(14(3)4)15(5)6/h7-9,11,13-15H,10,12H2,1-6H3,(H2,19,22)
InChIKeyOEVAXPDBAAJZCK-UHFFFAOYSA-N
XLogP2.97
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-pyridin-2-ylbutanamide?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-pyridin-2-ylbutanamide (CID 12923157) is 2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-pyridin-2-ylbutanamide.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-pyridin-2-ylbutanamide?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-pyridin-2-ylbutanamide is CC(C)N(CCC(C(N)=O)(c1ccccn1)C(C)C)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-pyridin-2-ylbutanamide?
The InChIKey is OEVAXPDBAAJZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-13(2)18(17(19)22,16-9-7-8-11-20-16)10-12-21(14(3)4)15(5)6/h7-9,11,13-15H,10,12H2,1-6H3,(H2,19,22).
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-pyridin-2-ylbutanamide?
2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-pyridin-2-ylbutanamide has a molecular weight of 305.47 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-pyridin-2-ylbutanamide is sourced from PubChem (CID 12923157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).