N-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide

C13H23N3O — CID 107640510

IUPACN-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
SMILESCCCn1cccc1CNCC(=O)N(C)CC
InChIInChI=1S/C13H23N3O/c1-4-8-16-9-6-7-12(16)10-14-11-13(17)15(3)5-2/h6-7,9,14H,4-5,8,10-11H2,1-3H3
InChIKeyXIWFMWJTWYKDCX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.47
Rot. Bonds7

About N-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide

N-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide (PubChem CID 107640510) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
PubChem CID107640510
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
SMILESCCCn1cccc1CNCC(=O)N(C)CC
InChIInChI=1S/C13H23N3O/c1-4-8-16-9-6-7-12(16)10-14-11-13(17)15(3)5-2/h6-7,9,14H,4-5,8,10-11H2,1-3H3
InChIKeyXIWFMWJTWYKDCX-UHFFFAOYSA-N
XLogP1.47
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide (CID 107640510) is N-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide is CCCn1cccc1CNCC(=O)N(C)CC.
What is the InChIKey of N-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide?
The InChIKey is XIWFMWJTWYKDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-8-16-9-6-7-12(16)10-14-11-13(17)15(3)5-2/h6-7,9,14H,4-5,8,10-11H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide?
N-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide has a molecular weight of 237.35 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide is sourced from PubChem (CID 107640510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).