1-methyl-3-(2-propoxyanilino)-4-propylpyrrole-2-carboxamide

C18H25N3O2 — CID 135386695

IUPAC1-methyl-3-(2-propoxyanilino)-4-propylpyrrole-2-carboxamide
SMILESCCCOc1ccccc1Nc1c(CCC)cn(C)c1C(N)=O
InChIInChI=1S/C18H25N3O2/c1-4-8-13-12-21(3)17(18(19)22)16(13)20-14-9-6-7-10-15(14)23-11-5-2/h6-7,9-10,12,20H,4-5,8,11H2,1-3H3,(H2,19,22)
InChIKeyBJFWOZFJYHUYAM-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.61
Rot. Bonds8

About 1-methyl-3-(2-propoxyanilino)-4-propylpyrrole-2-carboxamide

1-methyl-3-(2-propoxyanilino)-4-propylpyrrole-2-carboxamide (PubChem CID 135386695) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-methyl-3-(2-propoxyanilino)-4-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(2-propoxyanilino)-4-propylpyrrole-2-carboxamide
PubChem CID135386695
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-methyl-3-(2-propoxyanilino)-4-propylpyrrole-2-carboxamide
SMILESCCCOc1ccccc1Nc1c(CCC)cn(C)c1C(N)=O
InChIInChI=1S/C18H25N3O2/c1-4-8-13-12-21(3)17(18(19)22)16(13)20-14-9-6-7-10-15(14)23-11-5-2/h6-7,9-10,12,20H,4-5,8,11H2,1-3H3,(H2,19,22)
InChIKeyBJFWOZFJYHUYAM-UHFFFAOYSA-N
XLogP3.61
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-propoxyanilino)-4-propylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-3-(2-propoxyanilino)-4-propylpyrrole-2-carboxamide (CID 135386695) is 1-methyl-3-(2-propoxyanilino)-4-propylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-3-(2-propoxyanilino)-4-propylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-3-(2-propoxyanilino)-4-propylpyrrole-2-carboxamide is CCCOc1ccccc1Nc1c(CCC)cn(C)c1C(N)=O.
What is the InChIKey of 1-methyl-3-(2-propoxyanilino)-4-propylpyrrole-2-carboxamide?
The InChIKey is BJFWOZFJYHUYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-8-13-12-21(3)17(18(19)22)16(13)20-14-9-6-7-10-15(14)23-11-5-2/h6-7,9-10,12,20H,4-5,8,11H2,1-3H3,(H2,19,22).
What are the key properties of 1-methyl-3-(2-propoxyanilino)-4-propylpyrrole-2-carboxamide?
1-methyl-3-(2-propoxyanilino)-4-propylpyrrole-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-propoxyanilino)-4-propylpyrrole-2-carboxamide is sourced from PubChem (CID 135386695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).