N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide

C12H21N3O — CID 62832866

IUPACN-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCc1ccc(C)n1C
InChIInChI=1S/C12H21N3O/c1-4-13-8-7-12(16)14-9-11-6-5-10(2)15(11)3/h5-6,13H,4,7-9H2,1-3H3,(H,14,16)
InChIKeyDDLMVPJJDYMZTH-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.95
Rot. Bonds6

About N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide

N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide (PubChem CID 62832866) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide
PubChem CID62832866
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCc1ccc(C)n1C
InChIInChI=1S/C12H21N3O/c1-4-13-8-7-12(16)14-9-11-6-5-10(2)15(11)3/h5-6,13H,4,7-9H2,1-3H3,(H,14,16)
InChIKeyDDLMVPJJDYMZTH-UHFFFAOYSA-N
XLogP0.95
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide
CID 43620669
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958534
3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide
CID 32770995
methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate
CID 131155774
3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 62833982
3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62834819
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 71878303
3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide
CID 81170893
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 4786534
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide
CID 65241813
3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 55129127
3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide
CID 107235570

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide?
The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide (CID 62832866) is N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide?
The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide is CCNCCC(=O)NCc1ccc(C)n1C.
What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide?
The InChIKey is DDLMVPJJDYMZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-13-8-7-12(16)14-9-11-6-5-10(2)15(11)3/h5-6,13H,4,7-9H2,1-3H3,(H,14,16).
What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide?
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide has a molecular weight of 223.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide is sourced from PubChem (CID 62832866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).