3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide

C11H20N4O — CID 62833387

IUPAC3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCCNCCC(=O)NCCCn1ccnc1
InChIInChI=1S/C11H20N4O/c1-2-12-6-4-11(16)14-5-3-8-15-9-7-13-10-15/h7,9-10,12H,2-6,8H2,1H3,(H,14,16)
InChIKeyXQTRYMURZZJLPS-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.39
Rot. Bonds8

About 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide

3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide (PubChem CID 62833387) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
PubChem CID62833387
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCCNCCC(=O)NCCCn1ccnc1
InChIInChI=1S/C11H20N4O/c1-2-12-6-4-11(16)14-5-3-8-15-9-7-13-10-15/h7,9-10,12H,2-6,8H2,1H3,(H,14,16)
InChIKeyXQTRYMURZZJLPS-UHFFFAOYSA-N
XLogP0.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
4-(3-imidazol-1-ylpropylamino)-4-oxobutanoate
CID 7009162
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
N-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide
CID 54961391
4-(3-imidazol-1-ylpropylcarbamoylamino)butanoic acid
CID 61184653
3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide
CID 64686152
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
3-imidazol-1-ylpropylurea
CID 22179621
3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide
CID 62625374
N-(4-hydroxypentyl)-3-imidazol-1-ylpropanamide
CID 107299783

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide?
The IUPAC name of 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide (CID 62833387) is 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide?
The canonical SMILES for 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide is CCNCCC(=O)NCCCn1ccnc1.
What is the InChIKey of 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide?
The InChIKey is XQTRYMURZZJLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-12-6-4-11(16)14-5-3-8-15-9-7-13-10-15/h7,9-10,12H,2-6,8H2,1H3,(H,14,16).
What are the key properties of 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide?
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide has a molecular weight of 224.31 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide is sourced from PubChem (CID 62833387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).