(1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide

C16H22N2O — CID 101368590

IUPAC(1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide
SMILESN[C@H]1CC/C=C\CC[C@H]1C(=O)NCc1ccccc1
InChIInChI=1S/C16H22N2O/c17-15-11-7-2-1-6-10-14(15)16(19)18-12-13-8-4-3-5-9-13/h1-5,8-9,14-15H,6-7,10-12,17H2,(H,18,19)/b2-1-/t14-,15+/m1/s1
InChIKeyCSHMUSUEBCAYAC-PGGLMVFNSA-N
MW258.37 g/mol
LogP2.38
Rot. Bonds3

About (1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide

(1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide (PubChem CID 101368590) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide.

Molecular Properties

Compound Name(1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide
PubChem CID101368590
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide
SMILESN[C@H]1CC/C=C\CC[C@H]1C(=O)NCc1ccccc1
InChIInChI=1S/C16H22N2O/c17-15-11-7-2-1-6-10-14(15)16(19)18-12-13-8-4-3-5-9-13/h1-5,8-9,14-15H,6-7,10-12,17H2,(H,18,19)/b2-1-/t14-,15+/m1/s1
InChIKeyCSHMUSUEBCAYAC-PGGLMVFNSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823496
2-amino-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 64824475
2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119775473
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-benzylcyclohex-2-ene-1-carboxamide
CID 134888481
1-N,2-N,2-N-tribenzylcyclohex-4-ene-1,2-dicarboxamide
CID 19133731
2-amino-N-(3-phenylpropyl)cyclopentane-1-carboxamide
CID 64823369
ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate
CID 102105176
2-amino-N-[(4-sulfamoylphenyl)methyl]cyclopentane-1-carboxamide
CID 64818110

Frequently Asked Questions

What is the IUPAC name of (1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide?
The IUPAC name of (1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide (CID 101368590) is (1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide.
What is the SMILES notation for (1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide?
The canonical SMILES for (1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide is N[C@H]1CC/C=C\CC[C@H]1C(=O)NCc1ccccc1.
What is the InChIKey of (1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide?
The InChIKey is CSHMUSUEBCAYAC-PGGLMVFNSA-N. The full InChI is InChI=1S/C16H22N2O/c17-15-11-7-2-1-6-10-14(15)16(19)18-12-13-8-4-3-5-9-13/h1-5,8-9,14-15H,6-7,10-12,17H2,(H,18,19)/b2-1-/t14-,15+/m1/s1.
What are the key properties of (1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide?
(1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide has a molecular weight of 258.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide is sourced from PubChem (CID 101368590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).