2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C10H17N3O — CID 106416598

IUPAC2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCNCC(=O)NCc1cccn1C
InChIInChI=1S/C10H17N3O/c1-3-11-8-10(14)12-7-9-5-4-6-13(9)2/h4-6,11H,3,7-8H2,1-2H3,(H,12,14)
InChIKeyADEZJJVUNPJQMK-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.25
Rot. Bonds5

About 2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 106416598) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID106416598
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCNCC(=O)NCc1cccn1C
InChIInChI=1S/C10H17N3O/c1-3-11-8-10(14)12-7-9-5-4-6-13(9)2/h4-6,11H,3,7-8H2,1-2H3,(H,12,14)
InChIKeyADEZJJVUNPJQMK-UHFFFAOYSA-N
XLogP0.25
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide
CID 106423340
ethyl 4-[(1-methylpyrrol-2-yl)methylamino]-4-oxobutanoate
CID 103713412
methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450
2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid
CID 106414745
1-methoxy-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 130718702
1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide
CID 106416698
5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
CID 106416804
N-[(1-methylpyrrol-2-yl)methyl]-4-(propan-2-ylamino)butanamide
CID 114186109
2-methyl-3-[(1-methylpyrrol-2-yl)methylamino]-3-oxopropanoic acid
CID 106423129
2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
2-methyl-2-(methylamino)-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 106416600
4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide
CID 148872611

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 106416598) is 2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCNCC(=O)NCc1cccn1C.
What is the InChIKey of 2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is ADEZJJVUNPJQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-11-8-10(14)12-7-9-5-4-6-13(9)2/h4-6,11H,3,7-8H2,1-2H3,(H,12,14).
What are the key properties of 2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 195.27 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 106416598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).