2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide

C12H23N3O3 — CID 106241354

IUPAC2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)NCCOCC(N)=O)C1N
InChIInChI=1S/C12H23N3O3/c1-8-3-2-4-9(11(8)14)12(17)15-5-6-18-7-10(13)16/h8-9,11H,2-7,14H2,1H3,(H2,13,16)(H,15,17)
InChIKeyUEXVSFRMFGRFCN-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.63
Rot. Bonds6

About 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide

2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide (PubChem CID 106241354) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide
PubChem CID106241354
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)NCCOCC(N)=O)C1N
InChIInChI=1S/C12H23N3O3/c1-8-3-2-4-9(11(8)14)12(17)15-5-6-18-7-10(13)16/h8-9,11H,2-7,14H2,1H3,(H2,13,16)(H,15,17)
InChIKeyUEXVSFRMFGRFCN-UHFFFAOYSA-N
XLogP-0.63
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 106241357
cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106234746
2-amino-3-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 62776500
2-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
CID 55117010
2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 106239325
2-amino-N,3-dimethylcyclohexane-1-carboxamide
CID 62776522
4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106240401
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide
CID 106241360
2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 106239832
2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide
CID 114169878
2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid
CID 79457580
2-[2-[(4-methylcycloheptyl)amino]ethoxy]acetamide
CID 106235412

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide (CID 106241354) is 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide is CC1CCCC(C(=O)NCCOCC(N)=O)C1N.
What is the InChIKey of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is UEXVSFRMFGRFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8-3-2-4-9(11(8)14)12(17)15-5-6-18-7-10(13)16/h8-9,11H,2-7,14H2,1H3,(H2,13,16)(H,15,17).
What are the key properties of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide?
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106241354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).