[4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate

C19H23N3O3 — CID 60584507

IUPAC[4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate
SMILESCCNC(=O)NC1CCC(OC(=O)/C=C/c2cccc(C#N)c2)CC1
InChIInChI=1S/C19H23N3O3/c1-2-21-19(24)22-16-7-9-17(10-8-16)25-18(23)11-6-14-4-3-5-15(12-14)13-20/h3-6,11-12,16-17H,2,7-10H2,1H3,(H2,21,22,24)/b11-6+
InChIKeySAUXPJDXZQJHCC-IZZDOVSWSA-N
MW341.41 g/mol
LogP2.74
Rot. Bonds5

About [4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate

[4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate (PubChem CID 60584507) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate.

Molecular Properties

Compound Name[4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate
PubChem CID60584507
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate
SMILESCCNC(=O)NC1CCC(OC(=O)/C=C/c2cccc(C#N)c2)CC1
InChIInChI=1S/C19H23N3O3/c1-2-21-19(24)22-16-7-9-17(10-8-16)25-18(23)11-6-14-4-3-5-15(12-14)13-20/h3-6,11-12,16-17H,2,7-10H2,1H3,(H2,21,22,24)/b11-6+
InChIKeySAUXPJDXZQJHCC-IZZDOVSWSA-N
XLogP2.74
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 47592170
[4-(ethylcarbamoylamino)cyclohexyl] 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 75268944
propyl 3-(3-cyanophenyl)prop-2-enoate
CID 112727938
[1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]piperidin-4-yl] prop-2-enoate
CID 70287832
3-(3-oxobut-1-enyl)benzonitrile
CID 54320698
[4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate
CID 97416620
(E)-3-(3-cyanophenyl)-N-(2,6-dimethylcyclohexyl)prop-2-enamide
CID 78864161
[4-(ethylcarbamoylamino)cyclohexyl] 2,4-difluorobenzoate
CID 47592201
(E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
CID 115880739
(E)-3-(3-cyanophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]prop-2-enamide
CID 51123723
(Z)-3-(3-cyanophenyl)-N-[(3R)-1,1-dioxothian-3-yl]prop-2-enamide
CID 97359258
3-[(E)-3-(2,3-dimethylpyrrolidin-1-yl)-3-oxoprop-1-enyl]benzonitrile
CID 166223257

Frequently Asked Questions

What is the IUPAC name of [4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate?
The IUPAC name of [4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate (CID 60584507) is [4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate.
What is the SMILES notation for [4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate?
The canonical SMILES for [4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate is CCNC(=O)NC1CCC(OC(=O)/C=C/c2cccc(C#N)c2)CC1.
What is the InChIKey of [4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate?
The InChIKey is SAUXPJDXZQJHCC-IZZDOVSWSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-21-19(24)22-16-7-9-17(10-8-16)25-18(23)11-6-14-4-3-5-15(12-14)13-20/h3-6,11-12,16-17H,2,7-10H2,1H3,(H2,21,22,24)/b11-6+.
What are the key properties of [4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate?
[4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate has a molecular weight of 341.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-cyanophenyl)prop-2-enoate is sourced from PubChem (CID 60584507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).