4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide

C15H30N2O3 — CID 82960257

IUPAC4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide
SMILESCCOCCN(CCOCC)C(=O)C1CCC(N)CC1
InChIInChI=1S/C15H30N2O3/c1-3-19-11-9-17(10-12-20-4-2)15(18)13-5-7-14(16)8-6-13/h13-14H,3-12,16H2,1-2H3
InChIKeyUDCOZIJXJPCQNC-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.41
Rot. Bonds9

About 4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide

4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide (PubChem CID 82960257) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide
PubChem CID82960257
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide
SMILESCCOCCN(CCOCC)C(=O)C1CCC(N)CC1
InChIInChI=1S/C15H30N2O3/c1-3-19-11-9-17(10-12-20-4-2)15(18)13-5-7-14(16)8-6-13/h13-14H,3-12,16H2,1-2H3
InChIKeyUDCOZIJXJPCQNC-UHFFFAOYSA-N
XLogP1.41
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-N-ethylcyclopropanecarboxamide
CID 63717858
3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide
CID 82959930
4-amino-N,N-dipentylcyclohexane-1-carboxamide
CID 60947028
2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide
CID 82940425
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 60766142
3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclopentane-1-carboxamide
CID 66009602
3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237345
1,1,3,3-tetrakis(2-ethoxyethyl)urea
CID 54341985
N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779936
4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 79469783
3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 66008773
3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid
CID 82323958

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide (CID 82960257) is 4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide is CCOCCN(CCOCC)C(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide?
The InChIKey is UDCOZIJXJPCQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-3-19-11-9-17(10-12-20-4-2)15(18)13-5-7-14(16)8-6-13/h13-14H,3-12,16H2,1-2H3.
What are the key properties of 4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide?
4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 82960257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).