N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide

C17H23N3O2 — CID 21367237

IUPACN-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C17H23N3O2/c1-15-5-7-16(8-6-15)22-13-2-4-17(21)19-9-3-11-20-12-10-18-14-20/h5-8,10,12,14H,2-4,9,11,13H2,1H3,(H,19,21)
InChIKeyKLHDEVWYKZQNRC-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.56
Rot. Bonds9

About N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide

N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide (PubChem CID 21367237) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
PubChem CID21367237
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C17H23N3O2/c1-15-5-7-16(8-6-15)22-13-2-4-17(21)19-9-3-11-20-12-10-18-14-20/h5-8,10,12,14H,2-4,9,11,13H2,1H3,(H,19,21)
InChIKeyKLHDEVWYKZQNRC-UHFFFAOYSA-N
XLogP2.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 2842888
N-[2-(4-aminophenoxy)ethyl]-3-imidazol-1-ylpropanamide
CID 63237758
N-(3-imidazol-1-ylpropyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 78852316
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide
CID 108541662
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
4-(2-bromophenoxy)-N-(2-imidazol-1-ylethyl)butanamide
CID 47040734
4-(3-imidazol-1-ylpropylamino)-4-oxobutanoate
CID 7009162
4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
CID 119722655
4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
CID 119757236

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide (CID 21367237) is N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide is Cc1ccc(OCCCC(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide?
The InChIKey is KLHDEVWYKZQNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-15-5-7-16(8-6-15)22-13-2-4-17(21)19-9-3-11-20-12-10-18-14-20/h5-8,10,12,14H,2-4,9,11,13H2,1H3,(H,19,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide?
N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide has a molecular weight of 301.39 g/mol, XLogP of 2.56, 9 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)-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 21367237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).