N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[1-(methylamino)cyclohexyl]acetamide

C14H28N2O3 — CID 107865590

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCCC(CO)(CO)NC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C14H28N2O3/c1-3-13(10-17,11-18)16-12(19)9-14(15-2)7-5-4-6-8-14/h15,17-18H,3-11H2,1-2H3,(H,16,19)
InChIKeyUTTLTZSKHZLIEH-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.55
Rot. Bonds7

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[1-(methylamino)cyclohexyl]acetamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[1-(methylamino)cyclohexyl]acetamide (PubChem CID 107865590) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[1-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[1-(methylamino)cyclohexyl]acetamide
PubChem CID107865590
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCCC(CO)(CO)NC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C14H28N2O3/c1-3-13(10-17,11-18)16-12(19)9-14(15-2)7-5-4-6-8-14/h15,17-18H,3-11H2,1-2H3,(H,16,19)
InChIKeyUTTLTZSKHZLIEH-UHFFFAOYSA-N
XLogP0.55
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[1-(methylamino)cyclohexyl]acetamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[1-(methylamino)cyclohexyl]acetamide (CID 107865590) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[1-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[1-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[1-(methylamino)cyclohexyl]acetamide is CCC(CO)(CO)NC(=O)CC1(NC)CCCCC1.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[1-(methylamino)cyclohexyl]acetamide?
The InChIKey is UTTLTZSKHZLIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-13(10-17,11-18)16-12(19)9-14(15-2)7-5-4-6-8-14/h15,17-18H,3-11H2,1-2H3,(H,16,19).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[1-(methylamino)cyclohexyl]acetamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[1-(methylamino)cyclohexyl]acetamide has a molecular weight of 272.39 g/mol, XLogP of 0.55, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[1-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 107865590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).