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

C12H23N3O3 — CID 55086641

IUPAC2-(carbamoylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
SMILESCC1CCC(CO)(NC(=O)C(C)NC(N)=O)CC1
InChIInChI=1S/C12H23N3O3/c1-8-3-5-12(7-16,6-4-8)15-10(17)9(2)14-11(13)18/h8-9,16H,3-7H2,1-2H3,(H,15,17)(H3,13,14,18)
InChIKeyZABUZTMKPIXOQQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.10
Rot. Bonds4

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

2-(carbamoylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide (PubChem CID 55086641) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
PubChem CID55086641
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-(carbamoylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
SMILESCC1CCC(CO)(NC(=O)C(C)NC(N)=O)CC1
InChIInChI=1S/C12H23N3O3/c1-8-3-5-12(7-16,6-4-8)15-10(17)9(2)14-11(13)18/h8-9,16H,3-7H2,1-2H3,(H,15,17)(H3,13,14,18)
InChIKeyZABUZTMKPIXOQQ-UHFFFAOYSA-N
XLogP0.10
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide?
The IUPAC name of 2-(carbamoylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide (CID 55086641) is 2-(carbamoylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide is CC1CCC(CO)(NC(=O)C(C)NC(N)=O)CC1.
What is the InChIKey of 2-(carbamoylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide?
The InChIKey is ZABUZTMKPIXOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8-3-5-12(7-16,6-4-8)15-10(17)9(2)14-11(13)18/h8-9,16H,3-7H2,1-2H3,(H,15,17)(H3,13,14,18).
What are the key properties of 2-(carbamoylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide?
2-(carbamoylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide has a molecular weight of 257.33 g/mol, XLogP of 0.10, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide is sourced from PubChem (CID 55086641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).