3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide

C12H23N3O3 — CID 106241360

IUPAC3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide
SMILESCC1CC(N)CC(C(=O)NCCOCC(N)=O)C1
InChIInChI=1S/C12H23N3O3/c1-8-4-9(6-10(13)5-8)12(17)15-2-3-18-7-11(14)16/h8-10H,2-7,13H2,1H3,(H2,14,16)(H,15,17)
InChIKeyJKEZHQZIWUDSRW-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.63
Rot. Bonds6

About 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide

3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide (PubChem CID 106241360) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide
PubChem CID106241360
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide
SMILESCC1CC(N)CC(C(=O)NCCOCC(N)=O)C1
InChIInChI=1S/C12H23N3O3/c1-8-4-9(6-10(13)5-8)12(17)15-2-3-18-7-11(14)16/h8-10H,2-7,13H2,1H3,(H2,14,16)(H,15,17)
InChIKeyJKEZHQZIWUDSRW-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

4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106240401
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
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methylcyclohexane-1-carboxamide
CID 113396372
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide
CID 106241354
3-amino-N-[2-(2-methoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 66009424
N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 131134003
ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
CID 177357452
2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide
CID 114162833
3-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-methylcyclohexane-1-carboxamide
CID 114134969
4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 103795970
3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 113396384

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide (CID 106241360) is 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide is CC1CC(N)CC(C(=O)NCCOCC(N)=O)C1.
What is the InChIKey of 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide?
The InChIKey is JKEZHQZIWUDSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8-4-9(6-10(13)5-8)12(17)15-2-3-18-7-11(14)16/h8-10H,2-7,13H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide?
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-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 3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106241360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).