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

C12H23N3O3 — CID 62552018

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

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

N-carbamoyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide (PubChem CID 62552018) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-carbamoyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide
PubChem CID62552018
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-carbamoyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide
SMILESCC1CCC(CO)(NC(C)C(=O)NC(N)=O)CC1
InChIInChI=1S/C12H23N3O3/c1-8-3-5-12(7-16,6-4-8)15-9(2)10(17)14-11(13)18/h8-9,15-16H,3-7H2,1-2H3,(H3,13,14,17,18)
InChIKeyZMPAQUVHNSSDKX-UHFFFAOYSA-N
XLogP0.10
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
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 ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide?
The IUPAC name of N-carbamoyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide (CID 62552018) is N-carbamoyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide?
The canonical SMILES for N-carbamoyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide is CC1CCC(CO)(NC(C)C(=O)NC(N)=O)CC1.
What is the InChIKey of N-carbamoyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide?
The InChIKey is ZMPAQUVHNSSDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8-3-5-12(7-16,6-4-8)15-9(2)10(17)14-11(13)18/h8-9,15-16H,3-7H2,1-2H3,(H3,13,14,17,18).
What are the key properties of N-carbamoyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide?
N-carbamoyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide has a molecular weight of 257.33 g/mol, XLogP of 0.10, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide is sourced from PubChem (CID 62552018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).