[4-[[2-[(E)-1-(4-cyanophenyl)prop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamic acid

C20H25N3O2 — CID 122640922

IUPAC[4-[[2-[(E)-1-(4-cyanophenyl)prop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamic acid
SMILESC/C(=C\c1ccc(C#N)cc1)C1CC1NC1CCC(NC(=O)O)CC1
InChIInChI=1S/C20H25N3O2/c1-13(10-14-2-4-15(12-21)5-3-14)18-11-19(18)22-16-6-8-17(9-7-16)23-20(24)25/h2-5,10,16-19,22-23H,6-9,11H2,1H3,(H,24,25)/b13-10+
InChIKeyXXYHSIOXDNOCKW-JLHYYAGUSA-N
MW339.44 g/mol
LogP3.52
Rot. Bonds5

About [4-[[2-[(E)-1-(4-cyanophenyl)prop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamic acid

[4-[[2-[(E)-1-(4-cyanophenyl)prop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamic acid (PubChem CID 122640922) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-[[2-[(E)-1-(4-cyanophenyl)prop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[[2-[(E)-1-(4-cyanophenyl)prop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamic acid
PubChem CID122640922
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[4-[[2-[(E)-1-(4-cyanophenyl)prop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamic acid
SMILESC/C(=C\c1ccc(C#N)cc1)C1CC1NC1CCC(NC(=O)O)CC1
InChIInChI=1S/C20H25N3O2/c1-13(10-14-2-4-15(12-21)5-3-14)18-11-19(18)22-16-6-8-17(9-7-16)23-20(24)25/h2-5,10,16-19,22-23H,6-9,11H2,1H3,(H,24,25)/b13-10+
InChIKeyXXYHSIOXDNOCKW-JLHYYAGUSA-N
XLogP3.52
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-[(E)-1-(4-cyanophenyl)prop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[[2-[(E)-1-(4-cyanophenyl)prop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamic acid (CID 122640922) is [4-[[2-[(E)-1-(4-cyanophenyl)prop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[[2-[(E)-1-(4-cyanophenyl)prop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[[2-[(E)-1-(4-cyanophenyl)prop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamic acid is C/C(=C\c1ccc(C#N)cc1)C1CC1NC1CCC(NC(=O)O)CC1.
What is the InChIKey of [4-[[2-[(E)-1-(4-cyanophenyl)prop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamic acid?
The InChIKey is XXYHSIOXDNOCKW-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13(10-14-2-4-15(12-21)5-3-14)18-11-19(18)22-16-6-8-17(9-7-16)23-20(24)25/h2-5,10,16-19,22-23H,6-9,11H2,1H3,(H,24,25)/b13-10+.
What are the key properties of [4-[[2-[(E)-1-(4-cyanophenyl)prop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamic acid?
[4-[[2-[(E)-1-(4-cyanophenyl)prop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamic acid has a molecular weight of 339.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[(E)-1-(4-cyanophenyl)prop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 122640922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).