3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide

C11H19N3O — CID 106384852

IUPAC3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESCCNCC(C)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C11H19N3O/c1-3-12-6-9(2)11(15)14-8-10-4-5-13-7-10/h4-5,7,9,12-13H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyATXFFSOYTICKLO-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.88
Rot. Bonds6

About 3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide

3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide (PubChem CID 106384852) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
PubChem CID106384852
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESCCNCC(C)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C11H19N3O/c1-3-12-6-9(2)11(15)14-8-10-4-5-13-7-10/h4-5,7,9,12-13H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyATXFFSOYTICKLO-UHFFFAOYSA-N
XLogP0.88
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110782649
(2S)-2-amino-3-methyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384810
2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 115188874
4-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 62838380
(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384795
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384847
2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384976
3-(ethylamino)-2-methyl-N-(naphthalen-1-ylmethyl)propanamide
CID 62839648
3-(ethylamino)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 62838028
N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide
CID 62851864
3-methyl-2-[(1H-pyrrol-3-ylmethylamino)methyl]butanoic acid
CID 115250331

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
The IUPAC name of 3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide (CID 106384852) is 3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
The canonical SMILES for 3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide is CCNCC(C)C(=O)NCc1cc[nH]c1.
What is the InChIKey of 3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
The InChIKey is ATXFFSOYTICKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-12-6-9(2)11(15)14-8-10-4-5-13-7-10/h4-5,7,9,12-13H,3,6,8H2,1-2H3,(H,14,15).
What are the key properties of 3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide has a molecular weight of 209.29 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide is sourced from PubChem (CID 106384852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).