N-(5-hydroxy-4-methylpentyl)-3-(4-nitroimidazol-1-yl)propanamide

C12H20N4O4 — CID 103861971

IUPACN-(5-hydroxy-4-methylpentyl)-3-(4-nitroimidazol-1-yl)propanamide
SMILESCC(CO)CCCNC(=O)CCn1cnc([N+](=O)[O-])c1
InChIInChI=1S/C12H20N4O4/c1-10(8-17)3-2-5-13-12(18)4-6-15-7-11(14-9-15)16(19)20/h7,9-10,17H,2-6,8H2,1H3,(H,13,18)
InChIKeyWUOWDZNLSKJDLV-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.71
Rot. Bonds9

About N-(5-hydroxy-4-methylpentyl)-3-(4-nitroimidazol-1-yl)propanamide

N-(5-hydroxy-4-methylpentyl)-3-(4-nitroimidazol-1-yl)propanamide (PubChem CID 103861971) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-3-(4-nitroimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-3-(4-nitroimidazol-1-yl)propanamide
PubChem CID103861971
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC NameN-(5-hydroxy-4-methylpentyl)-3-(4-nitroimidazol-1-yl)propanamide
SMILESCC(CO)CCCNC(=O)CCn1cnc([N+](=O)[O-])c1
InChIInChI=1S/C12H20N4O4/c1-10(8-17)3-2-5-13-12(18)4-6-15-7-11(14-9-15)16(19)20/h7,9-10,17H,2-6,8H2,1H3,(H,13,18)
InChIKeyWUOWDZNLSKJDLV-UHFFFAOYSA-N
XLogP0.71
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(5-hydroxy-4-methylpentyl)-3-(4-nitroimidazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-hydroxy-4-[3-(4-nitroimidazol-1-yl)propanoylamino]butanoic acid
CID 107834507
5-[3-(4-nitroimidazol-1-yl)propanoylamino]hexanoic acid
CID 82845972
N-(1-hydroxybutan-2-yl)-3-(4-nitroimidazol-1-yl)propanamide
CID 43417891
ethyl 2-[3-(4-nitroimidazol-1-yl)propanoylamino]propanoate
CID 47393594
methyl 3-(4-nitroimidazol-1-yl)propanoate
CID 11138092
3-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]pentanoic acid
CID 43356517
4-methylsulfanyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]butanoic acid
CID 43170228
2-[3-(4-nitroimidazol-1-yl)propanoylamino]oxyacetic acid
CID 63913177
1-hexyl-4-nitroimidazole
CID 26793694
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide
CID 43546550
N-ethyl-3-(4-nitroimidazol-1-yl)propan-1-amine
CID 61387463
N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide
CID 113340869

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-3-(4-nitroimidazol-1-yl)propanamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-3-(4-nitroimidazol-1-yl)propanamide (CID 103861971) is N-(5-hydroxy-4-methylpentyl)-3-(4-nitroimidazol-1-yl)propanamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-3-(4-nitroimidazol-1-yl)propanamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-3-(4-nitroimidazol-1-yl)propanamide is CC(CO)CCCNC(=O)CCn1cnc([N+](=O)[O-])c1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-3-(4-nitroimidazol-1-yl)propanamide?
The InChIKey is WUOWDZNLSKJDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-10(8-17)3-2-5-13-12(18)4-6-15-7-11(14-9-15)16(19)20/h7,9-10,17H,2-6,8H2,1H3,(H,13,18).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-3-(4-nitroimidazol-1-yl)propanamide?
N-(5-hydroxy-4-methylpentyl)-3-(4-nitroimidazol-1-yl)propanamide has a molecular weight of 284.32 g/mol, XLogP of 0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-3-(4-nitroimidazol-1-yl)propanamide is sourced from PubChem (CID 103861971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).