N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide

C15H26N4O — CID 119069534

IUPACN-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1C(C)C(=O)NCCN1CCCCCC1
InChIInChI=1S/C15H26N4O/c1-13(19-12-8-16-14(19)2)15(20)17-7-11-18-9-5-3-4-6-10-18/h8,12-13H,3-7,9-11H2,1-2H3,(H,17,20)
InChIKeyARMJSHOPROFZIJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.74
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide

N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide (PubChem CID 119069534) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide
PubChem CID119069534
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1C(C)C(=O)NCCN1CCCCCC1
InChIInChI=1S/C15H26N4O/c1-13(19-12-8-16-14(19)2)15(20)17-7-11-18-9-5-3-4-6-10-18/h8,12-13H,3-7,9-11H2,1-2H3,(H,17,20)
InChIKeyARMJSHOPROFZIJ-UHFFFAOYSA-N
XLogP1.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 97190344
(2S)-N-[2-(azepan-1-yl)ethyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide
CID 126432376
2-(2-methylimidazol-1-yl)-N-propan-2-ylpropanamide
CID 63810179
(2R)-N-(3-cyclohexyloxypropyl)-2-(2-methylimidazol-1-yl)propanamide
CID 126448035
3-(2-piperidin-1-ylethylamino)-1-propan-2-ylpyrazin-2-one
CID 55156035
(2S)-N-[2-(azepan-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97064288
N-[[1-(methoxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119071530
(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide
CID 126438614
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119058465
N-tert-butyl-2-(2-methylimidazol-1-yl)propanamide
CID 55239400
2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide
CID 119063187
(2S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97274088

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide (CID 119069534) is N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide is Cc1nccn1C(C)C(=O)NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide?
The InChIKey is ARMJSHOPROFZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-13(19-12-8-16-14(19)2)15(20)17-7-11-18-9-5-3-4-6-10-18/h8,12-13H,3-7,9-11H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide?
N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 119069534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).