N-[(1-ethylcyclobutyl)methyl]-3-imidazol-1-yl-2-methylpropanamide

C14H23N3O — CID 136573411

IUPACN-[(1-ethylcyclobutyl)methyl]-3-imidazol-1-yl-2-methylpropanamide
SMILESCCC1(CNC(=O)C(C)Cn2ccnc2)CCC1
InChIInChI=1S/C14H23N3O/c1-3-14(5-4-6-14)10-16-13(18)12(2)9-17-8-7-15-11-17/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,16,18)
InChIKeyLYQHCUMTCOALPA-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.22
Rot. Bonds6

About N-[(1-ethylcyclobutyl)methyl]-3-imidazol-1-yl-2-methylpropanamide

N-[(1-ethylcyclobutyl)methyl]-3-imidazol-1-yl-2-methylpropanamide (PubChem CID 136573411) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-3-imidazol-1-yl-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-3-imidazol-1-yl-2-methylpropanamide
PubChem CID136573411
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-3-imidazol-1-yl-2-methylpropanamide
SMILESCCC1(CNC(=O)C(C)Cn2ccnc2)CCC1
InChIInChI=1S/C14H23N3O/c1-3-14(5-4-6-14)10-16-13(18)12(2)9-17-8-7-15-11-17/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,16,18)
InChIKeyLYQHCUMTCOALPA-UHFFFAOYSA-N
XLogP2.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 103810906
1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119859039
N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide
CID 62324787
N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide
CID 138013303
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide
CID 54959021
N-(4-imidazol-1-ylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79201805
[1-[(4-imidazol-1-ylbutylamino)methyl]cyclohexyl]methanol
CID 81418834
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
(2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide
CID 61326563
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 109470809
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-3-imidazol-1-yl-2-methylpropanamide?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-3-imidazol-1-yl-2-methylpropanamide (CID 136573411) is N-[(1-ethylcyclobutyl)methyl]-3-imidazol-1-yl-2-methylpropanamide.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-3-imidazol-1-yl-2-methylpropanamide?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-3-imidazol-1-yl-2-methylpropanamide is CCC1(CNC(=O)C(C)Cn2ccnc2)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-3-imidazol-1-yl-2-methylpropanamide?
The InChIKey is LYQHCUMTCOALPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-14(5-4-6-14)10-16-13(18)12(2)9-17-8-7-15-11-17/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-3-imidazol-1-yl-2-methylpropanamide?
N-[(1-ethylcyclobutyl)methyl]-3-imidazol-1-yl-2-methylpropanamide has a molecular weight of 249.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-3-imidazol-1-yl-2-methylpropanamide is sourced from PubChem (CID 136573411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).