N,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide

C12H22N4O — CID 62351352

IUPACN,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
SMILESCCN(CC)C(=O)CCNCc1nccn1C
InChIInChI=1S/C12H22N4O/c1-4-16(5-2)12(17)6-7-13-10-11-14-8-9-15(11)3/h8-9,13H,4-7,10H2,1-3H3
InChIKeyPRULALKZYKHVOV-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.77
Rot. Bonds7

About N,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide

N,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide (PubChem CID 62351352) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
PubChem CID62351352
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
SMILESCCN(CC)C(=O)CCNCc1nccn1C
InChIInChI=1S/C12H22N4O/c1-4-16(5-2)12(17)6-7-13-10-11-14-8-9-15(11)3/h8-9,13H,4-7,10H2,1-3H3
InChIKeyPRULALKZYKHVOV-UHFFFAOYSA-N
XLogP0.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.77
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-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 63000677
3-[(1-methylimidazol-2-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 55024779
ethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride
CID 115616317
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
4,4-dimethyl-6-[(1-methylimidazol-2-yl)methylamino]hexanoic acid
CID 65287582
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 60919035
2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 79354937
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide
CID 115584824
N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfinylbutan-1-amine
CID 115711772
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115608318
2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylamino]propanoic acid
CID 79623973

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide?
The IUPAC name of N,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide (CID 62351352) is N,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide is CCN(CC)C(=O)CCNCc1nccn1C.
What is the InChIKey of N,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide?
The InChIKey is PRULALKZYKHVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-16(5-2)12(17)6-7-13-10-11-14-8-9-15(11)3/h8-9,13H,4-7,10H2,1-3H3.
What are the key properties of N,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide?
N,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide has a molecular weight of 238.33 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide is sourced from PubChem (CID 62351352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).