2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(methylcarbamoyl)propanamide

C13H25N3O3 — CID 55086651

IUPAC2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NC1(CO)CCC(C)CC1
InChIInChI=1S/C13H25N3O3/c1-9-4-6-13(8-17,7-5-9)16-10(2)11(18)15-12(19)14-3/h9-10,16-17H,4-8H2,1-3H3,(H2,14,15,18,19)
InChIKeyWKINOFUEBPFUBB-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.36
Rot. Bonds4

About 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(methylcarbamoyl)propanamide

2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(methylcarbamoyl)propanamide (PubChem CID 55086651) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(methylcarbamoyl)propanamide
PubChem CID55086651
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NC1(CO)CCC(C)CC1
InChIInChI=1S/C13H25N3O3/c1-9-4-6-13(8-17,7-5-9)16-10(2)11(18)15-12(19)14-3/h9-10,16-17H,4-8H2,1-3H3,(H2,14,15,18,19)
InChIKeyWKINOFUEBPFUBB-UHFFFAOYSA-N
XLogP0.36
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(methylcarbamoyl)propanamide (CID 55086651) is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)NC1(CO)CCC(C)CC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is WKINOFUEBPFUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9-4-6-13(8-17,7-5-9)16-10(2)11(18)15-12(19)14-3/h9-10,16-17H,4-8H2,1-3H3,(H2,14,15,18,19).
What are the key properties of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(methylcarbamoyl)propanamide?
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 271.36 g/mol, XLogP of 0.36, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 55086651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).