methyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate

C15H26N2O4 — CID 75437213

IUPACmethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate
SMILESCCNC(=O)CN(CC)C(=O)C1CCC(C(=O)OC)CC1
InChIInChI=1S/C15H26N2O4/c1-4-16-13(18)10-17(5-2)14(19)11-6-8-12(9-7-11)15(20)21-3/h11-12H,4-10H2,1-3H3,(H,16,18)
InChIKeyCVYXVQRPPNPENY-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.95
Rot. Bonds6

About methyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate

methyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate (PubChem CID 75437213) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate
PubChem CID75437213
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namemethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate
SMILESCCNC(=O)CN(CC)C(=O)C1CCC(C(=O)OC)CC1
InChIInChI=1S/C15H26N2O4/c1-4-16-13(18)10-17(5-2)14(19)11-6-8-12(9-7-11)15(20)21-3/h11-12H,4-10H2,1-3H3,(H,16,18)
InChIKeyCVYXVQRPPNPENY-UHFFFAOYSA-N
XLogP0.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

trans-4-({[N-(tert-butoxycarbonyl)-L-alanyl]amino}methyl)cyclohexanecarboxylic acid
CID 5390018
Methyl trans-4-[(2,2,2-trifluoroacetamido)methyl]cyclohexanecarboxylate
CID 91697683
Methyl 4-[(5,5,5-trifluoro-2-oxopentyl)carbamoyl]cyclohexane-1-carboxylate
CID 159688150
Methyl trans-4-(acetylaminomethyl)cyclohexanecarboxylate
CID 12721446
4-[[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674432
Methyl 4-[(4,4,4-trifluoro-2-oxobutyl)carbamoyl]cyclohexane-1-carboxylate
CID 160822369
2-[4,7-Bis(carboxymethyl)-10-[2-[(4-ethoxycarbonylcyclohexyl)methylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 50993002
trans-4-[(L-leucylamino)methyl]cyclohexanecarboxylic acid
CID 1785277
4-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 1785521
4-[[(2-Aminoacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 13041015
4-[[[(2S)-2-aminopropanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 13041017
Methyl 3-[4-(2-acetaminoethyl)-cyclohexyl]-propionate
CID 20078491

Frequently Asked Questions

What is the IUPAC name of methyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate (CID 75437213) is methyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate is CCNC(=O)CN(CC)C(=O)C1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate?
The InChIKey is CVYXVQRPPNPENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-16-13(18)10-17(5-2)14(19)11-6-8-12(9-7-11)15(20)21-3/h11-12H,4-10H2,1-3H3,(H,16,18).
What are the key properties of methyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate?
methyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 75437213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).