2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide

C16H28N4O2 — CID 135115094

IUPAC2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide
SMILESCC(C(=O)N(CCO)Cc1ncc[nH]1)N(C)C1CCCCC1
InChIInChI=1S/C16H28N4O2/c1-13(19(2)14-6-4-3-5-7-14)16(22)20(10-11-21)12-15-17-8-9-18-15/h8-9,13-14,21H,3-7,10-12H2,1-2H3,(H,17,18)
InChIKeyFLMHVTIMBHRBFY-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.38
Rot. Bonds7

About 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide

2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide (PubChem CID 135115094) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide
PubChem CID135115094
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide
SMILESCC(C(=O)N(CCO)Cc1ncc[nH]1)N(C)C1CCCCC1
InChIInChI=1S/C16H28N4O2/c1-13(19(2)14-6-4-3-5-7-14)16(22)20(10-11-21)12-15-17-8-9-18-15/h8-9,13-14,21H,3-7,10-12H2,1-2H3,(H,17,18)
InChIKeyFLMHVTIMBHRBFY-UHFFFAOYSA-N
XLogP1.38
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide (CID 135115094) is 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide is CC(C(=O)N(CCO)Cc1ncc[nH]1)N(C)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide?
The InChIKey is FLMHVTIMBHRBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-13(19(2)14-6-4-3-5-7-14)16(22)20(10-11-21)12-15-17-8-9-18-15/h8-9,13-14,21H,3-7,10-12H2,1-2H3,(H,17,18).
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide?
2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide has a molecular weight of 308.43 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide is sourced from PubChem (CID 135115094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).