N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide

C25H29N5O3 — CID 134809431

IUPACN-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide
SMILESCC(C)(Oc1nn(CCOc2ccccc2)c2ccccc12)C(=O)NCCCn1ccnc1
InChIInChI=1S/C25H29N5O3/c1-25(2,24(31)27-13-8-15-29-16-14-26-19-29)33-23-21-11-6-7-12-22(21)30(28-23)17-18-32-20-9-4-3-5-10-20/h3-7,9-12,14,16,19H,8,13,15,17-18H2,1-2H3,(H,27,31)
InChIKeyMCNHYMRRAXOHCT-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.68
Rot. Bonds11

About N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide

N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide (PubChem CID 134809431) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide
PubChem CID134809431
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide
SMILESCC(C)(Oc1nn(CCOc2ccccc2)c2ccccc12)C(=O)NCCCn1ccnc1
InChIInChI=1S/C25H29N5O3/c1-25(2,24(31)27-13-8-15-29-16-14-26-19-29)33-23-21-11-6-7-12-22(21)30(28-23)17-18-32-20-9-4-3-5-10-20/h3-7,9-12,14,16,19H,8,13,15,17-18H2,1-2H3,(H,27,31)
InChIKeyMCNHYMRRAXOHCT-UHFFFAOYSA-N
XLogP3.68
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 110463413
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N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide
CID 2947951
N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9463031
N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
CID 21367237
6-[3-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethylhexanoic acid
CID 14327319
N-(3-imidazol-1-ylpropyl)-1-(2-phenoxyethyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazole-2-carboxamide
CID 59421857
N-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 51328575
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 2929720
1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea
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CID 35325611

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide (CID 134809431) is N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide is CC(C)(Oc1nn(CCOc2ccccc2)c2ccccc12)C(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide?
The InChIKey is MCNHYMRRAXOHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-25(2,24(31)27-13-8-15-29-16-14-26-19-29)33-23-21-11-6-7-12-22(21)30(28-23)17-18-32-20-9-4-3-5-10-20/h3-7,9-12,14,16,19H,8,13,15,17-18H2,1-2H3,(H,27,31).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide?
N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide has a molecular weight of 447.54 g/mol, XLogP of 3.68, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide is sourced from PubChem (CID 134809431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).