N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide

C15H28N4O — CID 66149485

IUPACN-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide
SMILESCCC(C)NC(=O)CCn1cncc1CNCC(C)C
InChIInChI=1S/C15H28N4O/c1-5-13(4)18-15(20)6-7-19-11-17-10-14(19)9-16-8-12(2)3/h10-13,16H,5-9H2,1-4H3,(H,18,20)
InChIKeyLMLPUXHMKINJHC-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.93
Rot. Bonds9

About N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide

N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide (PubChem CID 66149485) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide
PubChem CID66149485
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide
SMILESCCC(C)NC(=O)CCn1cncc1CNCC(C)C
InChIInChI=1S/C15H28N4O/c1-5-13(4)18-15(20)6-7-19-11-17-10-14(19)9-16-8-12(2)3/h10-13,16H,5-9H2,1-4H3,(H,18,20)
InChIKeyLMLPUXHMKINJHC-UHFFFAOYSA-N
XLogP1.93
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-butan-2-ylpropanamide
CID 104942629
2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine
CID 106009311
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937
N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66146061
2-methyl-N-[[3-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine
CID 66145702
N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 66150955
N-methyl-4-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propan-2-ylbutan-1-amine
CID 66150962
N-[[3-(2,3-dimethylbutyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149137
2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146319
N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 79401326
3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol
CID 106284688
3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide
CID 66150409

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide?
The IUPAC name of N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide (CID 66149485) is N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide?
The canonical SMILES for N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide is CCC(C)NC(=O)CCn1cncc1CNCC(C)C.
What is the InChIKey of N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide?
The InChIKey is LMLPUXHMKINJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-13(4)18-15(20)6-7-19-11-17-10-14(19)9-16-8-12(2)3/h10-13,16H,5-9H2,1-4H3,(H,18,20).
What are the key properties of N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide?
N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide has a molecular weight of 280.42 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide is sourced from PubChem (CID 66149485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).