N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide

C20H28N2O — CID 122649219

IUPACN-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(N[C@@H]2C[C@H]2/C(C)=C/c2ccccc2)CC1
InChIInChI=1S/C20H28N2O/c1-14(12-16-6-4-3-5-7-16)19-13-20(19)22-18-10-8-17(9-11-18)21-15(2)23/h3-7,12,17-20,22H,8-11,13H2,1-2H3,(H,21,23)/b14-12+/t17?,18?,19-,20+/m0/s1
InChIKeyIJJYTQJZMDYJIJ-LVPWSRKASA-N
MW312.46 g/mol
LogP3.52
Rot. Bonds5

About N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide

N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide (PubChem CID 122649219) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide
PubChem CID122649219
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(N[C@@H]2C[C@H]2/C(C)=C/c2ccccc2)CC1
InChIInChI=1S/C20H28N2O/c1-14(12-16-6-4-3-5-7-16)19-13-20(19)22-18-10-8-17(9-11-18)21-15(2)23/h3-7,12,17-20,22H,8-11,13H2,1-2H3,(H,21,23)/b14-12+/t17?,18?,19-,20+/m0/s1
InChIKeyIJJYTQJZMDYJIJ-LVPWSRKASA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide (CID 122649219) is N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(N[C@@H]2C[C@H]2/C(C)=C/c2ccccc2)CC1.
What is the InChIKey of N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide?
The InChIKey is IJJYTQJZMDYJIJ-LVPWSRKASA-N. The full InChI is InChI=1S/C20H28N2O/c1-14(12-16-6-4-3-5-7-16)19-13-20(19)22-18-10-8-17(9-11-18)21-15(2)23/h3-7,12,17-20,22H,8-11,13H2,1-2H3,(H,21,23)/b14-12+/t17?,18?,19-,20+/m0/s1.
What are the key properties of N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide?
N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide has a molecular weight of 312.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 122649219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).