N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide

C12H19N3O2 — CID 119068889

IUPACN-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide
SMILESO=C(CC1CCOC1)NCCCn1ccnc1
InChIInChI=1S/C12H19N3O2/c16-12(8-11-2-7-17-9-11)14-3-1-5-15-6-4-13-10-15/h4,6,10-11H,1-3,5,7-9H2,(H,14,16)
InChIKeyLTWNQDNDTDUTPF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.82
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide

N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide (PubChem CID 119068889) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide
PubChem CID119068889
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide
SMILESO=C(CC1CCOC1)NCCCn1ccnc1
InChIInChI=1S/C12H19N3O2/c16-12(8-11-2-7-17-9-11)14-3-1-5-15-6-4-13-10-15/h4,6,10-11H,1-3,5,7-9H2,(H,14,16)
InChIKeyLTWNQDNDTDUTPF-UHFFFAOYSA-N
XLogP0.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide 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

1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 97084850
N-(4-imidazol-1-ylbutyl)-2-piperidin-3-ylacetamide
CID 62691425
N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 126430718
N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119827227
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
1-(3-imidazol-1-ylpropyl)-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111644848
1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea
CID 47229107
3-imidazol-1-ylpropylurea
CID 22179621
4-(3-imidazol-1-ylpropylamino)-4-oxobutanoate
CID 7009162
N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 86990220

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide (CID 119068889) is N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide is O=C(CC1CCOC1)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide?
The InChIKey is LTWNQDNDTDUTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-12(8-11-2-7-17-9-11)14-3-1-5-15-6-4-13-10-15/h4,6,10-11H,1-3,5,7-9H2,(H,14,16).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide?
N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide is sourced from PubChem (CID 119068889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).