3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride

C12H24ClN3O3 — CID 119694990

IUPAC3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOCCNC(=O)CNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C12H23N3O3.ClH/c1-18-6-5-14-11(16)8-15-12(17)9-3-2-4-10(13)7-9;/h9-10H,2-8,13H2,1H3,(H,14,16)(H,15,17);1H
InChIKeyDBGPMBBJEKVGGV-UHFFFAOYSA-N
MW293.80 g/mol
LogP-0.20
Rot. Bonds6

About 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119694990) has the molecular formula C12H24ClN3O3 and a molecular weight of 293.80 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119694990
Molecular FormulaC12H24ClN3O3
Molecular Weight293.80 g/mol
Exact Mass293.15
IUPAC Name3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOCCNC(=O)CNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C12H23N3O3.ClH/c1-18-6-5-14-11(16)8-15-12(17)9-3-2-4-10(13)7-9;/h9-10H,2-8,13H2,1H3,(H,14,16)(H,15,17);1H
InChIKeyDBGPMBBJEKVGGV-UHFFFAOYSA-N
XLogP-0.20
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 5-0.20
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

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CID 119693905
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CID 66009424
3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119765560
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CID 154909398
3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide
CID 114127430
3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide
CID 113423463
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
methyl 4-[(3-aminocyclohexanecarbonyl)amino]butanoate;hydrochloride
CID 119684755
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
N-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687120
3-amino-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 66032086
3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119700662

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride (CID 119694990) is 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride is COCCNC(=O)CNC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is DBGPMBBJEKVGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3.ClH/c1-18-6-5-14-11(16)8-15-12(17)9-3-2-4-10(13)7-9;/h9-10H,2-8,13H2,1H3,(H,14,16)(H,15,17);1H.
What are the key properties of 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 293.80 g/mol, XLogP of -0.20, 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-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119694990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).