2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide

C12H20N2O2 — CID 115186753

IUPAC2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
SMILESCCC(CO)C(=O)N(C)CCc1ccc[nH]1
InChIInChI=1S/C12H20N2O2/c1-3-10(9-15)12(16)14(2)8-6-11-5-4-7-13-11/h4-5,7,10,13,15H,3,6,8-9H2,1-2H3
InChIKeyAGXBEHGBPGSGFP-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.03
Rot. Bonds6

About 2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide

2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide (PubChem CID 115186753) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
PubChem CID115186753
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
SMILESCCC(CO)C(=O)N(C)CCc1ccc[nH]1
InChIInChI=1S/C12H20N2O2/c1-3-10(9-15)12(16)14(2)8-6-11-5-4-7-13-11/h4-5,7,10,13,15H,3,6,8-9H2,1-2H3
InChIKeyAGXBEHGBPGSGFP-UHFFFAOYSA-N
XLogP1.03
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-4-oxobutanoic acid
CID 115181349
2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide
CID 115186463
3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115153081
3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115162696
4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide
CID 115156814
4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
CID 115156483
N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide
CID 115186751
N-ethyl-2-(hydroxymethyl)-N-methylbutanamide
CID 115186409
methyl 2-[[2-(1H-pyrrol-2-yl)ethylamino]methyl]butanoate
CID 115253218
2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid
CID 67686258
methyl 2-[methyl(1H-pyrrol-2-ylmethyl)carbamoyl]butanoate
CID 115187934
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide
CID 115187094

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide?
The IUPAC name of 2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide (CID 115186753) is 2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide?
The canonical SMILES for 2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide is CCC(CO)C(=O)N(C)CCc1ccc[nH]1.
What is the InChIKey of 2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide?
The InChIKey is AGXBEHGBPGSGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-10(9-15)12(16)14(2)8-6-11-5-4-7-13-11/h4-5,7,10,13,15H,3,6,8-9H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide?
2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide has a molecular weight of 224.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide is sourced from PubChem (CID 115186753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).