2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide

C13H22N4O — CID 116677559

IUPAC2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide
SMILESCC(C(=O)NCCCCn1ccnc1)C1CNC1
InChIInChI=1S/C13H22N4O/c1-11(12-8-15-9-12)13(18)16-4-2-3-6-17-7-5-14-10-17/h5,7,10-12,15H,2-4,6,8-9H2,1H3,(H,16,18)
InChIKeyOPFJAPXNTWEPRH-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.63
Rot. Bonds7

About 2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide

2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide (PubChem CID 116677559) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide
PubChem CID116677559
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide
SMILESCC(C(=O)NCCCCn1ccnc1)C1CNC1
InChIInChI=1S/C13H22N4O/c1-11(12-8-15-9-12)13(18)16-4-2-3-6-17-7-5-14-10-17/h5,7,10-12,15H,2-4,6,8-9H2,1H3,(H,16,18)
InChIKeyOPFJAPXNTWEPRH-UHFFFAOYSA-N
XLogP0.63
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
CID 107905070
N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide
CID 43130667
propan-2-yl N-(4-imidazol-1-ylbutyl)carbamate
CID 116655262
N-(4-imidazol-1-ylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79201805
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138
5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide
CID 104684937
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
2-(azetidin-3-yl)-N-octylpropanamide
CID 116678669
N-(4-imidazol-1-ylbutyl)-2-piperidin-3-ylacetamide
CID 62691425
1-(4-imidazol-1-ylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62097000
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide (CID 116677559) is 2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide is CC(C(=O)NCCCCn1ccnc1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide?
The InChIKey is OPFJAPXNTWEPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11(12-8-15-9-12)13(18)16-4-2-3-6-17-7-5-14-10-17/h5,7,10-12,15H,2-4,6,8-9H2,1H3,(H,16,18).
What are the key properties of 2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide?
2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide has a molecular weight of 250.35 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide is sourced from PubChem (CID 116677559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).