1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate

C12H20N2O3 — CID 67747543

IUPAC1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)N(C(N)=O)C1CCCCC1
InChIInChI=1S/C12H20N2O3/c1-3-11(15)17-9(2)14(12(13)16)10-7-5-4-6-8-10/h3,9-10H,1,4-8H2,2H3,(H2,13,16)
InChIKeyFIDSLIOUIMDNPA-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.77
Rot. Bonds4

About 1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate

1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate (PubChem CID 67747543) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate
PubChem CID67747543
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)N(C(N)=O)C1CCCCC1
InChIInChI=1S/C12H20N2O3/c1-3-11(15)17-9(2)14(12(13)16)10-7-5-4-6-8-10/h3,9-10H,1,4-8H2,2H3,(H2,13,16)
InChIKeyFIDSLIOUIMDNPA-UHFFFAOYSA-N
XLogP1.77
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(dicyclohexylamino)ethyl prop-2-enoate
CID 142697109
N-cyclohexyl-N-(1-hydroxyethyl)prop-2-enamide
CID 23224348
tert-butyl (2S)-2-[cyclohexyl(prop-2-enoyl)amino]propanoate
CID 70370984
2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate
CID 174598026
(2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 18658340
1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate
CID 141038512
2-(dicyclopentylamino)ethyl prop-2-enoate
CID 176910236
3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate
CID 54512392
1-cyclooctyl-1-methylurea
CID 126989312
tert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate
CID 140993360
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl prop-2-enoate
CID 135235608

Frequently Asked Questions

What is the IUPAC name of 1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate?
The IUPAC name of 1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate (CID 67747543) is 1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate.
What is the SMILES notation for 1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate?
The canonical SMILES for 1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate is C=CC(=O)OC(C)N(C(N)=O)C1CCCCC1.
What is the InChIKey of 1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate?
The InChIKey is FIDSLIOUIMDNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-11(15)17-9(2)14(12(13)16)10-7-5-4-6-8-10/h3,9-10H,1,4-8H2,2H3,(H2,13,16).
What are the key properties of 1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate?
1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate is sourced from PubChem (CID 67747543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).