N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide

C13H25N3O3 — CID 55082319

IUPACN-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide
SMILESCCNC(=O)NC(=O)C(C)NC1(CO)CCCCC1
InChIInChI=1S/C13H25N3O3/c1-3-14-12(19)15-11(18)10(2)16-13(9-17)7-5-4-6-8-13/h10,16-17H,3-9H2,1-2H3,(H2,14,15,18,19)
InChIKeyWQXMALXWUJRASN-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.51
Rot. Bonds5

About N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide

N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide (PubChem CID 55082319) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide
PubChem CID55082319
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide
SMILESCCNC(=O)NC(=O)C(C)NC1(CO)CCCCC1
InChIInChI=1S/C13H25N3O3/c1-3-14-12(19)15-11(18)10(2)16-13(9-17)7-5-4-6-8-13/h10,16-17H,3-9H2,1-2H3,(H2,14,15,18,19)
InChIKeyWQXMALXWUJRASN-UHFFFAOYSA-N
XLogP0.51
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide (CID 55082319) is N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide is CCNC(=O)NC(=O)C(C)NC1(CO)CCCCC1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide?
The InChIKey is WQXMALXWUJRASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-14-12(19)15-11(18)10(2)16-13(9-17)7-5-4-6-8-13/h10,16-17H,3-9H2,1-2H3,(H2,14,15,18,19).
What are the key properties of N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide?
N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide has a molecular weight of 271.36 g/mol, XLogP of 0.51, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide is sourced from PubChem (CID 55082319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).