N-(5-imidazol-1-ylpentyl)-3-methylbutanamide

C13H23N3O — CID 110442138

IUPACN-(5-imidazol-1-ylpentyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCCCCCn1ccnc1
InChIInChI=1S/C13H23N3O/c1-12(2)10-13(17)15-6-4-3-5-8-16-9-7-14-11-16/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,15,17)
InChIKeyQWVOQORQJMVMBI-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.22
Rot. Bonds8

About N-(5-imidazol-1-ylpentyl)-3-methylbutanamide

N-(5-imidazol-1-ylpentyl)-3-methylbutanamide (PubChem CID 110442138) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(5-imidazol-1-ylpentyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(5-imidazol-1-ylpentyl)-3-methylbutanamide
PubChem CID110442138
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(5-imidazol-1-ylpentyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCCCCCn1ccnc1
InChIInChI=1S/C13H23N3O/c1-12(2)10-13(17)15-6-4-3-5-8-16-9-7-14-11-16/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,15,17)
InChIKeyQWVOQORQJMVMBI-UHFFFAOYSA-N
XLogP2.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
CID 107905070
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
N-(4-imidazol-1-ylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79201805
propan-2-yl N-(4-imidazol-1-ylbutyl)carbamate
CID 116655262
2-cyano-N-(6-imidazol-1-ylhexyl)acetamide
CID 110444916
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
4-(4-imidazol-1-ylbutylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65299659
N-(4-hydroxypentyl)-3-imidazol-1-ylpropanamide
CID 107299783
2-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]sulfanylacetic acid
CID 104569804
5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide
CID 104684937

Frequently Asked Questions

What is the IUPAC name of N-(5-imidazol-1-ylpentyl)-3-methylbutanamide?
The IUPAC name of N-(5-imidazol-1-ylpentyl)-3-methylbutanamide (CID 110442138) is N-(5-imidazol-1-ylpentyl)-3-methylbutanamide.
What is the SMILES notation for N-(5-imidazol-1-ylpentyl)-3-methylbutanamide?
The canonical SMILES for N-(5-imidazol-1-ylpentyl)-3-methylbutanamide is CC(C)CC(=O)NCCCCCn1ccnc1.
What is the InChIKey of N-(5-imidazol-1-ylpentyl)-3-methylbutanamide?
The InChIKey is QWVOQORQJMVMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12(2)10-13(17)15-6-4-3-5-8-16-9-7-14-11-16/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,15,17).
What are the key properties of N-(5-imidazol-1-ylpentyl)-3-methylbutanamide?
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide has a molecular weight of 237.35 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazol-1-ylpentyl)-3-methylbutanamide is sourced from PubChem (CID 110442138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).