N-ethyl-N-[(5S)-2-(ethylamino)-4,5-dihydroxycyclohexyl]acetamide

C12H24N2O3 — CID 121478864

IUPACN-ethyl-N-[(5S)-2-(ethylamino)-4,5-dihydroxycyclohexyl]acetamide
SMILESCCNC1CC(O)[C@@H](O)CC1N(CC)C(C)=O
InChIInChI=1S/C12H24N2O3/c1-4-13-9-6-11(16)12(17)7-10(9)14(5-2)8(3)15/h9-13,16-17H,4-7H2,1-3H3/t9?,10?,11?,12-/m0/s1
InChIKeyUUZFIHFIDUBOCA-ROAFRPBMSA-N
MW244.33 g/mol
LogP-0.28
Rot. Bonds4

About N-ethyl-N-[(5S)-2-(ethylamino)-4,5-dihydroxycyclohexyl]acetamide

N-ethyl-N-[(5S)-2-(ethylamino)-4,5-dihydroxycyclohexyl]acetamide (PubChem CID 121478864) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-ethyl-N-[(5S)-2-(ethylamino)-4,5-dihydroxycyclohexyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(5S)-2-(ethylamino)-4,5-dihydroxycyclohexyl]acetamide
PubChem CID121478864
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-ethyl-N-[(5S)-2-(ethylamino)-4,5-dihydroxycyclohexyl]acetamide
SMILESCCNC1CC(O)[C@@H](O)CC1N(CC)C(C)=O
InChIInChI=1S/C12H24N2O3/c1-4-13-9-6-11(16)12(17)7-10(9)14(5-2)8(3)15/h9-13,16-17H,4-7H2,1-3H3/t9?,10?,11?,12-/m0/s1
InChIKeyUUZFIHFIDUBOCA-ROAFRPBMSA-N
XLogP-0.28
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5S)-2-(ethylamino)-4,5-dihydroxycyclohexyl]acetamide?
The IUPAC name of N-ethyl-N-[(5S)-2-(ethylamino)-4,5-dihydroxycyclohexyl]acetamide (CID 121478864) is N-ethyl-N-[(5S)-2-(ethylamino)-4,5-dihydroxycyclohexyl]acetamide.
What is the SMILES notation for N-ethyl-N-[(5S)-2-(ethylamino)-4,5-dihydroxycyclohexyl]acetamide?
The canonical SMILES for N-ethyl-N-[(5S)-2-(ethylamino)-4,5-dihydroxycyclohexyl]acetamide is CCNC1CC(O)[C@@H](O)CC1N(CC)C(C)=O.
What is the InChIKey of N-ethyl-N-[(5S)-2-(ethylamino)-4,5-dihydroxycyclohexyl]acetamide?
The InChIKey is UUZFIHFIDUBOCA-ROAFRPBMSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-13-9-6-11(16)12(17)7-10(9)14(5-2)8(3)15/h9-13,16-17H,4-7H2,1-3H3/t9?,10?,11?,12-/m0/s1.
What are the key properties of N-ethyl-N-[(5S)-2-(ethylamino)-4,5-dihydroxycyclohexyl]acetamide?
N-ethyl-N-[(5S)-2-(ethylamino)-4,5-dihydroxycyclohexyl]acetamide has a molecular weight of 244.33 g/mol, XLogP of -0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5S)-2-(ethylamino)-4,5-dihydroxycyclohexyl]acetamide is sourced from PubChem (CID 121478864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).