N-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide

C10H18N4O — CID 110684062

IUPACN-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide
SMILESCN(C)CCCNC(=O)Cc1cnc[nH]1
InChIInChI=1S/C10H18N4O/c1-14(2)5-3-4-12-10(15)6-9-7-11-8-13-9/h7-8H,3-6H2,1-2H3,(H,11,13)(H,12,15)
InChIKeyDRAMURFULTVQSU-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.02
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide

N-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide (PubChem CID 110684062) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide
PubChem CID110684062
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide
SMILESCN(C)CCCNC(=O)Cc1cnc[nH]1
InChIInChI=1S/C10H18N4O/c1-14(2)5-3-4-12-10(15)6-9-7-11-8-13-9/h7-8H,3-6H2,1-2H3,(H,11,13)(H,12,15)
InChIKeyDRAMURFULTVQSU-UHFFFAOYSA-N
XLogP0.02
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane
CID 91572909
(2S)-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-N-[8-[[(2S)-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 122211207
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
3-[2-(1H-imidazol-5-yl)ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105703
N-[2-(1H-imidazol-5-yl)ethyl]-2-pyridin-4-ylacetamide
CID 65232429
N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684075
N-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 43833127
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[3-(dimethylamino)propyl]-2-(4-methoxy-2,3-dimethylphenyl)acetamide
CID 110769641
2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 65230866
N-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide
CID 110474563
2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 78804891

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide (CID 110684062) is N-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide is CN(C)CCCNC(=O)Cc1cnc[nH]1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is DRAMURFULTVQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-14(2)5-3-4-12-10(15)6-9-7-11-8-13-9/h7-8H,3-6H2,1-2H3,(H,11,13)(H,12,15).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide?
N-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 210.28 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 110684062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).