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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).