N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide

C14H23N3O3 — CID 86990220

IUPACN-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide
SMILESO=C(CCOCC1CCCO1)NCCCn1ccnc1
InChIInChI=1S/C14H23N3O3/c18-14(4-10-19-11-13-3-1-9-20-13)16-5-2-7-17-8-6-15-12-17/h6,8,12-13H,1-5,7,9-11H2,(H,16,18)
InChIKeyHXUVWMZSGUYIKQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.98
Rot. Bonds9

About N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide

N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 86990220) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID86990220
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide
SMILESO=C(CCOCC1CCCO1)NCCCn1ccnc1
InChIInChI=1S/C14H23N3O3/c18-14(4-10-19-11-13-3-1-9-20-13)16-5-2-7-17-8-6-15-12-17/h6,8,12-13H,1-5,7,9-11H2,(H,16,18)
InChIKeyHXUVWMZSGUYIKQ-UHFFFAOYSA-N
XLogP0.98
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)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-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide
CID 77082155
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
3-[5-[3-(2-imidazol-1-ylethylamino)-3-oxopropoxy]dithian-4-yl]oxy-N-(3-imidazol-1-ylpropyl)propanamide
CID 101084103
1-(3-imidazol-1-ylpropyl)-2-(oxolan-2-ylmethyl)guanidine
CID 110913905
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61275516
7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide
CID 61274559
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111409161
4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide
CID 125158263
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111409160
N-(2-aminoethyl)-5-[3-(3-imidazol-1-ylpropylamino)-3-oxopropoxy]-4,4-bis[[3-(3-imidazol-1-ylpropylamino)-3-oxopropoxy]methyl]pentanamide
CID 25026789
4-(3-imidazol-1-ylpropylamino)-4-oxobutanoate
CID 7009162

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide (CID 86990220) is N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide is O=C(CCOCC1CCCO1)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is HXUVWMZSGUYIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c18-14(4-10-19-11-13-3-1-9-20-13)16-5-2-7-17-8-6-15-12-17/h6,8,12-13H,1-5,7,9-11H2,(H,16,18).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide?
N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 281.36 g/mol, XLogP of 0.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 86990220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).