N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide

C17H23N3O3 — CID 43904679

IUPACN-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)NCCCn1ccnc1
InChIInChI=1S/C17H23N3O3/c1-3-16(23-15-7-4-6-14(12-15)22-2)17(21)19-8-5-10-20-11-9-18-13-20/h4,6-7,9,11-13,16H,3,5,8,10H2,1-2H3,(H,19,21)
InChIKeyMCAPKWWFLPPWNB-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.26
Rot. Bonds9

About N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide

N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide (PubChem CID 43904679) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide
PubChem CID43904679
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)NCCCn1ccnc1
InChIInChI=1S/C17H23N3O3/c1-3-16(23-15-7-4-6-14(12-15)22-2)17(21)19-8-5-10-20-11-9-18-13-20/h4,6-7,9,11-13,16H,3,5,8,10H2,1-2H3,(H,19,21)
InChIKeyMCAPKWWFLPPWNB-UHFFFAOYSA-N
XLogP2.26
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 38011679
(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide
CID 92683293
N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide
CID 21367526
(E)-N-(3-imidazol-1-ylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 27397163
(2S)-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(3-methoxyphenoxy)butanamide
CID 28631887
2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 43909571
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43126793
N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide
CID 17200482
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide (CID 43904679) is N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide is CCC(Oc1cccc(OC)c1)C(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide?
The InChIKey is MCAPKWWFLPPWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-16(23-15-7-4-6-14(12-15)22-2)17(21)19-8-5-10-20-11-9-18-13-20/h4,6-7,9,11-13,16H,3,5,8,10H2,1-2H3,(H,19,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide?
N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide has a molecular weight of 317.39 g/mol, XLogP of 2.26, 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)-2-(3-methoxyphenoxy)butanamide is sourced from PubChem (CID 43904679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).