N-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid

C14H26N2O6 — CID 67929926

IUPACN-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid
SMILESCN(C)CCNC(=O)C[C@@H]1CCCC[C@H]1O.O=C(O)C(=O)O
InChIInChI=1S/C12H24N2O2.C2H2O4/c1-14(2)8-7-13-12(16)9-10-5-3-4-6-11(10)15;3-1(4)2(5)6/h10-11,15H,3-9H2,1-2H3,(H,13,16);(H,3,4)(H,5,6)/t10-,11+;/m0./s1
InChIKeyFFCMAHMWNFWCRO-VZXYPILPSA-N
MW318.37 g/mol
LogP-0.24
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid

N-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid (PubChem CID 67929926) has the molecular formula C14H26N2O6 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid
PubChem CID67929926
Molecular FormulaC14H26N2O6
Molecular Weight318.37 g/mol
Exact Mass318.18
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid
SMILESCN(C)CCNC(=O)C[C@@H]1CCCC[C@H]1O.O=C(O)C(=O)O
InChIInChI=1S/C12H24N2O2.C2H2O4/c1-14(2)8-7-13-12(16)9-10-5-3-4-6-11(10)15;3-1(4)2(5)6/h10-11,15H,3-9H2,1-2H3,(H,13,16);(H,3,4)(H,5,6)/t10-,11+;/m0./s1
InChIKeyFFCMAHMWNFWCRO-VZXYPILPSA-N
XLogP-0.24
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide
CID 143839933
N-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide
CID 163738986
2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 63613727
2-(2-hydroxycycloheptyl)acetohydrazide
CID 130147718
2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 62782488
N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
CID 25390405
2-(2-aminocyclohexyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide
CID 62849411
N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 123651432
N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide;dihydrochloride
CID 139348524
N-[2-[(2-hydroxycyclohexyl)-methylamino]ethyl]acetamide
CID 102636528
2-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 93495946
2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid
CID 22800145

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid (CID 67929926) is N-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid is CN(C)CCNC(=O)C[C@@H]1CCCC[C@H]1O.O=C(O)C(=O)O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid?
The InChIKey is FFCMAHMWNFWCRO-VZXYPILPSA-N. The full InChI is InChI=1S/C12H24N2O2.C2H2O4/c1-14(2)8-7-13-12(16)9-10-5-3-4-6-11(10)15;3-1(4)2(5)6/h10-11,15H,3-9H2,1-2H3,(H,13,16);(H,3,4)(H,5,6)/t10-,11+;/m0./s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid?
N-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid has a molecular weight of 318.37 g/mol, XLogP of -0.24, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid is sourced from PubChem (CID 67929926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).