N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide

C13H23N5O2 — CID 47220680

IUPACN-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide
SMILESCC(Cn1ccnc1)NC(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C13H23N5O2/c1-10(2)12(19)15-4-5-16-13(20)17-11(3)8-18-7-6-14-9-18/h6-7,9-11H,4-5,8H2,1-3H3,(H,15,19)(H2,16,17,20)
InChIKeyXODCQOWEKWHFCR-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.34
Rot. Bonds7

About N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide

N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide (PubChem CID 47220680) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide
PubChem CID47220680
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC NameN-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide
SMILESCC(Cn1ccnc1)NC(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C13H23N5O2/c1-10(2)12(19)15-4-5-16-13(20)17-11(3)8-18-7-6-14-9-18/h6-7,9-11H,4-5,8H2,1-3H3,(H,15,19)(H2,16,17,20)
InChIKeyXODCQOWEKWHFCR-UHFFFAOYSA-N
XLogP0.34
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-imidazol-1-ylbut-2-ynyl)acetamide
CID 15065586
3-(2-Imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 47164586
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
1-(1-oxopropyl)-1H-imidazole
CID 77770
1-(1H-Imidazol-1-yl)-2,2-dimethyl-1-propanone
CID 545333
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[3-(1H-imidazol-1-yl)propyl]urea
CID 659695
N1-(3-(1H-imidazol-1-yl)propyl)-N2-cyclohexyloxalamide
CID 3122124
1-(3-(1H-imidazol-1-yl)propyl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea
CID 659593
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]ethanamide
CID 9553256
(2S)-3,3-Dimethyl-2-(((1-methyl-1H-imidazol-2-yl)methyl)amino)-N-((1R)-1,2,2-trimethylpropyl)butanamide
CID 11851249
1-Ethyl-3-methylimidazolium (S)-2-aminopropionate
CID 55270442
2-(1h-Imidazol-1-Yl)-N-(Trans-4-Methylcyclohexyl)acetamide
CID 36795531

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide (CID 47220680) is N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide is CC(Cn1ccnc1)NC(=O)NCCNC(=O)C(C)C.
What is the InChIKey of N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide?
The InChIKey is XODCQOWEKWHFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-10(2)12(19)15-4-5-16-13(20)17-11(3)8-18-7-6-14-9-18/h6-7,9-11H,4-5,8H2,1-3H3,(H,15,19)(H2,16,17,20).
What are the key properties of N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide?
N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide has a molecular weight of 281.36 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 47220680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).