1-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide

C16H27N3O2 — CID 53149838

IUPAC1-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)c(C)n1CCN(C)C
InChIInChI=1S/C16H27N3O2/c1-12-10-15(13(2)19(12)8-7-18(3)4)16(20)17-11-14-6-5-9-21-14/h10,14H,5-9,11H2,1-4H3,(H,17,20)
InChIKeyCQWZLRAAOPKNOW-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.58
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide

1-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 53149838) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID53149838
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)c(C)n1CCN(C)C
InChIInChI=1S/C16H27N3O2/c1-12-10-15(13(2)19(12)8-7-18(3)4)16(20)17-11-14-6-5-9-21-14/h10,14H,5-9,11H2,1-4H3,(H,17,20)
InChIKeyCQWZLRAAOPKNOW-UHFFFAOYSA-N
XLogP1.58
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide (CID 53149838) is 1-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)NCC2CCCO2)c(C)n1CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is CQWZLRAAOPKNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12-10-15(13(2)19(12)8-7-18(3)4)16(20)17-11-14-6-5-9-21-14/h10,14H,5-9,11H2,1-4H3,(H,17,20).
What are the key properties of 1-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide?
1-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 53149838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).