N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide

C16H21N3O2 — CID 21367526

IUPACN-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C16H21N3O2/c1-13-5-3-6-15(11-13)21-14(2)16(20)18-7-4-9-19-10-8-17-12-19/h3,5-6,8,10-12,14H,4,7,9H2,1-2H3,(H,18,20)
InChIKeyABZYCCHSBKEQHB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.17
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide

N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide (PubChem CID 21367526) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide
PubChem CID21367526
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C16H21N3O2/c1-13-5-3-6-15(11-13)21-14(2)16(20)18-7-4-9-19-10-8-17-12-19/h3,5-6,8,10-12,14H,4,7,9H2,1-2H3,(H,18,20)
InChIKeyABZYCCHSBKEQHB-UHFFFAOYSA-N
XLogP2.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.17
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

N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide
CID 17200482
1-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-(3-imidazol-1-ylpropyl)-1-propan-2-ylurea
CID 95784042
(2S)-N-(3-imidazol-1-ylpropyl)-2-(6-oxobenzo[c]chromen-3-yl)oxypropanamide
CID 40512539
N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide
CID 43904679
1-[4-(3-methylphenoxy)butyl]imidazole
CID 2841395
N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide
CID 2890255
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
(2S)-N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 40512472
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide
CID 75455498
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide
CID 121121158
(2R)-N-(3-imidazol-1-ylpropyl)-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]propanamide
CID 40826495

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide (CID 21367526) is N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)NCCCn2ccnc2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide?
The InChIKey is ABZYCCHSBKEQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13-5-3-6-15(11-13)21-14(2)16(20)18-7-4-9-19-10-8-17-12-19/h3,5-6,8,10-12,14H,4,7,9H2,1-2H3,(H,18,20).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide?
N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.17, 7 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-(3-methylphenoxy)propanamide is sourced from PubChem (CID 21367526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).