N-[2-(1H-imidazol-5-yl)ethyl]heptanamide

C12H21N3O — CID 14712098

IUPACN-[2-(1H-imidazol-5-yl)ethyl]heptanamide
SMILESCCCCCCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H21N3O/c1-2-3-4-5-6-12(16)14-8-7-11-9-13-10-15-11/h9-10H,2-8H2,1H3,(H,13,15)(H,14,16)
InChIKeySKXWOXXBSYCKPE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.04
Rot. Bonds8

About N-[2-(1H-imidazol-5-yl)ethyl]heptanamide

N-[2-(1H-imidazol-5-yl)ethyl]heptanamide (PubChem CID 14712098) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]heptanamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]heptanamide
PubChem CID14712098
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]heptanamide
SMILESCCCCCCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H21N3O/c1-2-3-4-5-6-12(16)14-8-7-11-9-13-10-15-11/h9-10H,2-8H2,1H3,(H,13,15)(H,14,16)
InChIKeySKXWOXXBSYCKPE-UHFFFAOYSA-N
XLogP2.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
(Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide
CID 171117231
(9E,12E)-N-[2-(1H-imidazol-5-yl)ethyl]octadeca-9,12-dienamide
CID 171117223
(Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide
CID 171117216
6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
CID 19065170
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide
CID 107910201
3-[2-(1H-imidazol-5-yl)ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105703
(5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide
CID 171117235
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
CID 110205924
N-[(2R)-4-amino-1-[2-(1H-imidazol-5-yl)ethylamino]-4-imino-1-oxobutan-2-yl]octanamide
CID 162387494
N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide
CID 123905839

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]heptanamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]heptanamide (CID 14712098) is N-[2-(1H-imidazol-5-yl)ethyl]heptanamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]heptanamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]heptanamide is CCCCCCC(=O)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]heptanamide?
The InChIKey is SKXWOXXBSYCKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-3-4-5-6-12(16)14-8-7-11-9-13-10-15-11/h9-10H,2-8H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]heptanamide?
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide has a molecular weight of 223.32 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]heptanamide is sourced from PubChem (CID 14712098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).