5-(2-nitroimidazol-1-yl)-N-phenyl-N-propylpentanamide

C17H22N4O3 — CID 57026873

IUPAC5-(2-nitroimidazol-1-yl)-N-phenyl-N-propylpentanamide
SMILESCCCN(C(=O)CCCCn1ccnc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H22N4O3/c1-2-12-20(15-8-4-3-5-9-15)16(22)10-6-7-13-19-14-11-18-17(19)21(23)24/h3-5,8-9,11,14H,2,6-7,10,12-13H2,1H3
InChIKeyMDRBQKHTEKVKOG-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.40
Rot. Bonds9

About 5-(2-nitroimidazol-1-yl)-N-phenyl-N-propylpentanamide

5-(2-nitroimidazol-1-yl)-N-phenyl-N-propylpentanamide (PubChem CID 57026873) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-(2-nitroimidazol-1-yl)-N-phenyl-N-propylpentanamide.

Molecular Properties

Compound Name5-(2-nitroimidazol-1-yl)-N-phenyl-N-propylpentanamide
PubChem CID57026873
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name5-(2-nitroimidazol-1-yl)-N-phenyl-N-propylpentanamide
SMILESCCCN(C(=O)CCCCn1ccnc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H22N4O3/c1-2-12-20(15-8-4-3-5-9-15)16(22)10-6-7-13-19-14-11-18-17(19)21(23)24/h3-5,8-9,11,14H,2,6-7,10,12-13H2,1H3
InChIKeyMDRBQKHTEKVKOG-UHFFFAOYSA-N
XLogP3.40
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

N-[3-(2-nitroimidazol-1-yl)propyl]benzamide
CID 175787458
3-(2-nitroimidazol-1-yl)-N,N-bis(pyridin-2-ylmethyl)propan-1-amine
CID 122214824
1-ethyl-2-nitroimidazole
CID 19802537
1-(2-nitroimidazol-1-yl)-4-phenylbutan-2-one;hydrochloride
CID 67157777
3-bromo-N-phenyl-N-propylpropanamide
CID 118001559
methyl 3-(2-nitroimidazol-1-yl)propanoate
CID 15749951
2-[3-(2-nitroimidazol-1-yl)propyl]isoindole-1,3-dione
CID 641838
3-(N-octanoylanilino)propanoic acid
CID 60831115
N-ethyl-N-phenyloctadecanamide
CID 151424183
4-[methyl-[2-(2-nitroimidazol-1-yl)ethyl]amino]benzaldehyde
CID 172640003
N-methyl-2-(2-nitroimidazol-1-yl)acetamide
CID 20667794
4-(2-methylimidazol-1-yl)-N,N-dipropylbutanamide
CID 19965025

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitroimidazol-1-yl)-N-phenyl-N-propylpentanamide?
The IUPAC name of 5-(2-nitroimidazol-1-yl)-N-phenyl-N-propylpentanamide (CID 57026873) is 5-(2-nitroimidazol-1-yl)-N-phenyl-N-propylpentanamide.
What is the SMILES notation for 5-(2-nitroimidazol-1-yl)-N-phenyl-N-propylpentanamide?
The canonical SMILES for 5-(2-nitroimidazol-1-yl)-N-phenyl-N-propylpentanamide is CCCN(C(=O)CCCCn1ccnc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 5-(2-nitroimidazol-1-yl)-N-phenyl-N-propylpentanamide?
The InChIKey is MDRBQKHTEKVKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-12-20(15-8-4-3-5-9-15)16(22)10-6-7-13-19-14-11-18-17(19)21(23)24/h3-5,8-9,11,14H,2,6-7,10,12-13H2,1H3.
What are the key properties of 5-(2-nitroimidazol-1-yl)-N-phenyl-N-propylpentanamide?
5-(2-nitroimidazol-1-yl)-N-phenyl-N-propylpentanamide has a molecular weight of 330.39 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitroimidazol-1-yl)-N-phenyl-N-propylpentanamide is sourced from PubChem (CID 57026873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).