N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide

C14H24N4O2 — CID 79400872

IUPACN-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide
SMILESCOCCNCc1cncn1CCCC(=O)NC1CC1
InChIInChI=1S/C14H24N4O2/c1-20-8-6-15-9-13-10-16-11-18(13)7-2-3-14(19)17-12-4-5-12/h10-12,15H,2-9H2,1H3,(H,17,19)
InChIKeyJTSHNUBHPLNTSL-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.68
Rot. Bonds10

About N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide

N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide (PubChem CID 79400872) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide
PubChem CID79400872
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide
SMILESCOCCNCc1cncn1CCCC(=O)NC1CC1
InChIInChI=1S/C14H24N4O2/c1-20-8-6-15-9-13-10-16-11-18(13)7-2-3-14(19)17-12-4-5-12/h10-12,15H,2-9H2,1H3,(H,17,19)
InChIKeyJTSHNUBHPLNTSL-UHFFFAOYSA-N
XLogP0.68
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide
CID 79401031
N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 79401326
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66146516
N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114097853
N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide
CID 79394815
2-methoxy-N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 66151760
2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146107
2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
CID 66146309
2-methoxy-N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
CID 113450980
N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide
CID 79385761
N-[[3-(2-imidazol-1-ylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 66148202
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 113405061

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide?
The IUPAC name of N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide (CID 79400872) is N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide?
The canonical SMILES for N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide is COCCNCc1cncn1CCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide?
The InChIKey is JTSHNUBHPLNTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-20-8-6-15-9-13-10-16-11-18(13)7-2-3-14(19)17-12-4-5-12/h10-12,15H,2-9H2,1H3,(H,17,19).
What are the key properties of N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide?
N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide has a molecular weight of 280.37 g/mol, XLogP of 0.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide is sourced from PubChem (CID 79400872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).