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

C16H21N3O3 — CID 17200482

IUPACN-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OC(C)C(=O)NCCCn1ccnc1
InChIInChI=1S/C16H21N3O3/c1-13(22-15-7-4-3-6-14(15)21-2)16(20)18-8-5-10-19-11-9-17-12-19/h3-4,6-7,9,11-13H,5,8,10H2,1-2H3,(H,18,20)
InChIKeyFRCGVRHRMJAKRA-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.87
Rot. Bonds8

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

N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide (PubChem CID 17200482) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide
PubChem CID17200482
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OC(C)C(=O)NCCCn1ccnc1
InChIInChI=1S/C16H21N3O3/c1-13(22-15-7-4-3-6-14(15)21-2)16(20)18-8-5-10-19-11-9-17-12-19/h3-4,6-7,9,11-13H,5,8,10H2,1-2H3,(H,18,20)
InChIKeyFRCGVRHRMJAKRA-UHFFFAOYSA-N
XLogP1.87
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.87
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

N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide
CID 21367526
(2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95278922
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
(2S)-N-(3-imidazol-1-ylpropyl)-2-(6-oxobenzo[c]chromen-3-yl)oxypropanamide
CID 40512539
4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 51155757
N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide
CID 43904679
(2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide
CID 124507638
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide
CID 49487480
N-[3-(furan-2-yl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 53286312
(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 28994199

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide (CID 17200482) is N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide is COc1ccccc1OC(C)C(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide?
The InChIKey is FRCGVRHRMJAKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-13(22-15-7-4-3-6-14(15)21-2)16(20)18-8-5-10-19-11-9-17-12-19/h3-4,6-7,9,11-13H,5,8,10H2,1-2H3,(H,18,20).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide?
N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide has a molecular weight of 303.36 g/mol, XLogP of 1.87, 8 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-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 17200482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).