[4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate

C14H24N2O3 — CID 97416620

IUPAC[4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate
SMILESC/C=C(/C)C(=O)OC1CCC(NC(=O)NCC)CC1
InChIInChI=1S/C14H24N2O3/c1-4-10(3)13(17)19-12-8-6-11(7-9-12)16-14(18)15-5-2/h4,11-12H,5-9H2,1-3H3,(H2,15,16,18)/b10-4-
InChIKeyZNGOTUQKWBGYEO-WMZJFQQLSA-N
MW268.36 g/mol
LogP2.13
Rot. Bonds4

About [4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate

[4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate (PubChem CID 97416620) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is [4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate.

Molecular Properties

Compound Name[4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate
PubChem CID97416620
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name[4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate
SMILESC/C=C(/C)C(=O)OC1CCC(NC(=O)NCC)CC1
InChIInChI=1S/C14H24N2O3/c1-4-10(3)13(17)19-12-8-6-11(7-9-12)16-14(18)15-5-2/h4,11-12H,5-9H2,1-3H3,(H2,15,16,18)/b10-4-
InChIKeyZNGOTUQKWBGYEO-WMZJFQQLSA-N
XLogP2.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide
CID 59418797
1-cyclopentyl-3-ethylurea;ethane
CID 145358709
cyclopentyl (Z)-2-methylbut-2-enoate
CID 70402433
[4-(ethylcarbamoylamino)cyclohexyl] 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 75268944
3-O-[4-(ethylcarbamoylamino)cyclohexyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 47592468
[4-(ethylcarbamoylamino)cyclohexyl] 2,4-difluorobenzoate
CID 47592201
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
[4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate
CID 60584507
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
[4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate
CID 75407115
[4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 47592170
1-(3-aminocyclobutyl)-3-ethylurea
CID 43596703

Frequently Asked Questions

What is the IUPAC name of [4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate?
The IUPAC name of [4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate (CID 97416620) is [4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate.
What is the SMILES notation for [4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate?
The canonical SMILES for [4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate is C/C=C(/C)C(=O)OC1CCC(NC(=O)NCC)CC1.
What is the InChIKey of [4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate?
The InChIKey is ZNGOTUQKWBGYEO-WMZJFQQLSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-10(3)13(17)19-12-8-6-11(7-9-12)16-14(18)15-5-2/h4,11-12H,5-9H2,1-3H3,(H2,15,16,18)/b10-4-.
What are the key properties of [4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate?
[4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate has a molecular weight of 268.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate is sourced from PubChem (CID 97416620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).