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

C16H28N2O3 — CID 60945042

IUPACethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)C2CCC(N)CC2)CC1
InChIInChI=1S/C16H28N2O3/c1-2-21-16(20)12-5-9-14(10-6-12)18-15(19)11-3-7-13(17)8-4-11/h11-14H,2-10,17H2,1H3,(H,18,19)
InChIKeyQXGNXHYEWCCXGV-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.74
Rot. Bonds4

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

ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 60945042) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
PubChem CID60945042
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nameethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)C2CCC(N)CC2)CC1
InChIInChI=1S/C16H28N2O3/c1-2-21-16(20)12-5-9-14(10-6-12)18-15(19)11-3-7-13(17)8-4-11/h11-14H,2-10,17H2,1H3,(H,18,19)
InChIKeyQXGNXHYEWCCXGV-UHFFFAOYSA-N
XLogP1.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate
CID 115270432
ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
CID 119738217
ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate
CID 121439164
ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate
CID 60934435
ethyl 4-(2-methylpropanoylamino)cyclohexane-1-carboxylate
CID 62401052
ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate
CID 165449507
3-[(4-ethoxycarbonylcyclohexyl)amino]-3-oxopropanoic acid
CID 62230215
ethyl 4-[(2-chloroacetyl)amino]cyclohexane-1-carboxylate
CID 60933173
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
CID 115617179
ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
CID 54867024
ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate
CID 60934314

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate (CID 60945042) is ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC(=O)C2CCC(N)CC2)CC1.
What is the InChIKey of ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is QXGNXHYEWCCXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-21-16(20)12-5-9-14(10-6-12)18-15(19)11-3-7-13(17)8-4-11/h11-14H,2-10,17H2,1H3,(H,18,19).
What are the key properties of ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate?
ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 60945042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).