ethyl 4-[(1-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate;hydrochloride

C16H29ClN2O3 — CID 119297447

IUPACethyl 4-[(1-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC(NC(=O)C2(N)CCCCC2)CC1.Cl
InChIInChI=1S/C16H28N2O3.ClH/c1-2-21-14(19)12-6-8-13(9-7-12)18-15(20)16(17)10-4-3-5-11-16;/h12-13H,2-11,17H2,1H3,(H,18,20);1H
InChIKeyUQRCDOBHHOQXFT-UHFFFAOYSA-N
MW332.87 g/mol
LogP2.31
Rot. Bonds4

About ethyl 4-[(1-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate;hydrochloride

ethyl 4-[(1-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate;hydrochloride (PubChem CID 119297447) has the molecular formula C16H29ClN2O3 and a molecular weight of 332.87 g/mol. Its IUPAC name is ethyl 4-[(1-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[(1-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate;hydrochloride
PubChem CID119297447
Molecular FormulaC16H29ClN2O3
Molecular Weight332.87 g/mol
Exact Mass332.19
IUPAC Nameethyl 4-[(1-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC(NC(=O)C2(N)CCCCC2)CC1.Cl
InChIInChI=1S/C16H28N2O3.ClH/c1-2-21-14(19)12-6-8-13(9-7-12)18-15(20)16(17)10-4-3-5-11-16;/h12-13H,2-11,17H2,1H3,(H,18,20);1H
InChIKeyUQRCDOBHHOQXFT-UHFFFAOYSA-N
XLogP2.31
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.87
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119339847
1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
CID 119339856
ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
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CID 60934314
ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate
CID 115270432
ethyl 4-(2-methylpropanoylamino)cyclohexane-1-carboxylate
CID 62401052
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
3-[(4-ethoxycarbonylcyclohexyl)amino]-3-oxopropanoic acid
CID 62230215
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CID 60933173

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-[(1-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate;hydrochloride (CID 119297447) is ethyl 4-[(1-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-[(1-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-[(1-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate;hydrochloride is CCOC(=O)C1CCC(NC(=O)C2(N)CCCCC2)CC1.Cl.
What is the InChIKey of ethyl 4-[(1-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate;hydrochloride?
The InChIKey is UQRCDOBHHOQXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3.ClH/c1-2-21-14(19)12-6-8-13(9-7-12)18-15(20)16(17)10-4-3-5-11-16;/h12-13H,2-11,17H2,1H3,(H,18,20);1H.
What are the key properties of ethyl 4-[(1-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate;hydrochloride?
ethyl 4-[(1-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate;hydrochloride has a molecular weight of 332.87 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 119297447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).