5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide

C19H27N3O — CID 3744012

IUPAC5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCCN(CC)c1ccc(-c2cc(C(N)=O)c(C)n2C(C)C)cc1
InChIInChI=1S/C19H27N3O/c1-6-21(7-2)16-10-8-15(9-11-16)18-12-17(19(20)23)14(5)22(18)13(3)4/h8-13H,6-7H2,1-5H3,(H2,20,23)
InChIKeyLRZYJCAAJQKHPQ-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.99
Rot. Bonds6

About 5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide

5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 3744012) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID3744012
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCCN(CC)c1ccc(-c2cc(C(N)=O)c(C)n2C(C)C)cc1
InChIInChI=1S/C19H27N3O/c1-6-21(7-2)16-10-8-15(9-11-16)18-12-17(19(20)23)14(5)22(18)13(3)4/h8-13H,6-7H2,1-5H3,(H2,20,23)
InChIKeyLRZYJCAAJQKHPQ-UHFFFAOYSA-N
XLogP3.99
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of 5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide (CID 3744012) is 5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide is CCN(CC)c1ccc(-c2cc(C(N)=O)c(C)n2C(C)C)cc1.
What is the InChIKey of 5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is LRZYJCAAJQKHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-6-21(7-2)16-10-8-15(9-11-16)18-12-17(19(20)23)14(5)22(18)13(3)4/h8-13H,6-7H2,1-5H3,(H2,20,23).
What are the key properties of 5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide?
5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 313.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 3744012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).