N-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide

C11H20N4O — CID 110474563

IUPACN-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide
SMILESCN(C)CCCNC(=O)Cc1nccn1C
InChIInChI=1S/C11H20N4O/c1-14(2)7-4-5-13-11(16)9-10-12-6-8-15(10)3/h6,8H,4-5,7,9H2,1-3H3,(H,13,16)
InChIKeyQAWKNKNSBVSESI-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.03
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide

N-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide (PubChem CID 110474563) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide
PubChem CID110474563
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide
SMILESCN(C)CCCNC(=O)Cc1nccn1C
InChIInChI=1S/C11H20N4O/c1-14(2)7-4-5-13-11(16)9-10-12-6-8-15(10)3/h6,8H,4-5,7,9H2,1-3H3,(H,13,16)
InChIKeyQAWKNKNSBVSESI-UHFFFAOYSA-N
XLogP0.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(dimethylamino)propylamino]-3-oxopropyl]-1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]propanoylamino]imidazole-2-carbonyl]amino]imidazole-2-carbonyl]amino]propanoylamino]imidazole-2-carboxamide
CID 15602792
2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110474600
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
N-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide
CID 110688672
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide
CID 110474763
N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474605
N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide
CID 110692569
N-[2-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51102467
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 132964109

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide (CID 110474563) is N-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide is CN(C)CCCNC(=O)Cc1nccn1C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide?
The InChIKey is QAWKNKNSBVSESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-14(2)7-4-5-13-11(16)9-10-12-6-8-15(10)3/h6,8H,4-5,7,9H2,1-3H3,(H,13,16).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide?
N-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide has a molecular weight of 224.31 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide is sourced from PubChem (CID 110474563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).