2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide

C14H28N2O3 — CID 115738981

IUPAC2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide
SMILESCOCCOCCCCNC(=O)C1CCCCC1N
InChIInChI=1S/C14H28N2O3/c1-18-10-11-19-9-5-4-8-16-14(17)12-6-2-3-7-13(12)15/h12-13H,2-11,15H2,1H3,(H,16,17)
InChIKeyRTNWANIBSXFFBJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.06
Rot. Bonds9

About 2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide

2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide (PubChem CID 115738981) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide
PubChem CID115738981
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide
SMILESCOCCOCCCCNC(=O)C1CCCCC1N
InChIInChI=1S/C14H28N2O3/c1-18-10-11-19-9-5-4-8-16-14(17)12-6-2-3-7-13(12)15/h12-13H,2-11,15H2,1H3,(H,16,17)
InChIKeyRTNWANIBSXFFBJ-UHFFFAOYSA-N
XLogP1.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(2-hydroxyethoxy)propyl]cycloheptane-1-carboxamide
CID 106310524
2-amino-N-(4-hydroxybutyl)cyclopentane-1-carboxamide
CID 106842187
2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 62775948
2-amino-N-hex-5-ynylcyclohexane-1-carboxamide
CID 106212965
2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974582
methyl 2-[2-[[(1S,2S)-2-aminocycloheptanecarbonyl]amino]ethylsulfanyl]acetate
CID 100632048
methyl 2-[2-[[(1R,2R)-2-aminocycloheptanecarbonyl]amino]ethylsulfanyl]acetate
CID 100632064
2-amino-N-(2-fluoroethyl)cyclohexane-1-carboxamide
CID 130504072
N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide
CID 115626529
2-amino-N-(2-cyclopentyloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119737689
2-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide
CID 64603110
2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide
CID 106398080

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide (CID 115738981) is 2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide is COCCOCCCCNC(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide?
The InChIKey is RTNWANIBSXFFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-18-10-11-19-9-5-4-8-16-14(17)12-6-2-3-7-13(12)15/h12-13H,2-11,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide?
2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115738981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).