2-amino-N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-N-hydroxybenzamide

C22H30N2O2 — CID 170189392

IUPAC2-amino-N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-N-hydroxybenzamide
SMILESC=C[C@]1(C)CC[C@@H](C(=C)CN(O)C(=O)c2ccccc2N)C[C@H]1C(=C)C
InChIInChI=1S/C22H30N2O2/c1-6-22(5)12-11-17(13-19(22)15(2)3)16(4)14-24(26)21(25)18-9-7-8-10-20(18)23/h6-10,17,19,26H,1-2,4,11-14,23H2,3,5H3/t17-,19+,22-/m1/s1
InChIKeyHVRQZLJMJLLOSY-ZWCUEREDSA-N
MW354.49 g/mol
LogP4.84
Rot. Bonds6

About 2-amino-N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-N-hydroxybenzamide

2-amino-N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-N-hydroxybenzamide (PubChem CID 170189392) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-amino-N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-N-hydroxybenzamide
PubChem CID170189392
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-amino-N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-N-hydroxybenzamide
SMILESC=C[C@]1(C)CC[C@@H](C(=C)CN(O)C(=O)c2ccccc2N)C[C@H]1C(=C)C
InChIInChI=1S/C22H30N2O2/c1-6-22(5)12-11-17(13-19(22)15(2)3)16(4)14-24(26)21(25)18-9-7-8-10-20(18)23/h6-10,17,19,26H,1-2,4,11-14,23H2,3,5H3/t17-,19+,22-/m1/s1
InChIKeyHVRQZLJMJLLOSY-ZWCUEREDSA-N
XLogP4.84
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-N-hydroxybenzamide?
The IUPAC name of 2-amino-N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-N-hydroxybenzamide (CID 170189392) is 2-amino-N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-N-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-N-hydroxybenzamide?
The canonical SMILES for 2-amino-N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-N-hydroxybenzamide is C=C[C@]1(C)CC[C@@H](C(=C)CN(O)C(=O)c2ccccc2N)C[C@H]1C(=C)C.
What is the InChIKey of 2-amino-N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-N-hydroxybenzamide?
The InChIKey is HVRQZLJMJLLOSY-ZWCUEREDSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-6-22(5)12-11-17(13-19(22)15(2)3)16(4)14-24(26)21(25)18-9-7-8-10-20(18)23/h6-10,17,19,26H,1-2,4,11-14,23H2,3,5H3/t17-,19+,22-/m1/s1.
What are the key properties of 2-amino-N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-N-hydroxybenzamide?
2-amino-N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-N-hydroxybenzamide has a molecular weight of 354.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-N-hydroxybenzamide is sourced from PubChem (CID 170189392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).