(1R,3R,4S)-1-acetamido-N-tert-butyl-3-ethenyl-4-methylcyclopentane-1-carboxamide

C15H26N2O2 — CID 157241533

IUPAC(1R,3R,4S)-1-acetamido-N-tert-butyl-3-ethenyl-4-methylcyclopentane-1-carboxamide
SMILESC=C[C@H]1C[C@@](NC(C)=O)(C(=O)NC(C)(C)C)C[C@@H]1C
InChIInChI=1S/C15H26N2O2/c1-7-12-9-15(8-10(12)2,16-11(3)18)13(19)17-14(4,5)6/h7,10,12H,1,8-9H2,2-6H3,(H,16,18)(H,17,19)/t10-,12-,15+/m0/s1
InChIKeyVNMGYCIKKRBTMU-ITDIGPHOSA-N
MW266.38 g/mol
LogP2.01
Rot. Bonds3

About (1R,3R,4S)-1-acetamido-N-tert-butyl-3-ethenyl-4-methylcyclopentane-1-carboxamide

(1R,3R,4S)-1-acetamido-N-tert-butyl-3-ethenyl-4-methylcyclopentane-1-carboxamide (PubChem CID 157241533) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (1R,3R,4S)-1-acetamido-N-tert-butyl-3-ethenyl-4-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R,3R,4S)-1-acetamido-N-tert-butyl-3-ethenyl-4-methylcyclopentane-1-carboxamide
PubChem CID157241533
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(1R,3R,4S)-1-acetamido-N-tert-butyl-3-ethenyl-4-methylcyclopentane-1-carboxamide
SMILESC=C[C@H]1C[C@@](NC(C)=O)(C(=O)NC(C)(C)C)C[C@@H]1C
InChIInChI=1S/C15H26N2O2/c1-7-12-9-15(8-10(12)2,16-11(3)18)13(19)17-14(4,5)6/h7,10,12H,1,8-9H2,2-6H3,(H,16,18)(H,17,19)/t10-,12-,15+/m0/s1
InChIKeyVNMGYCIKKRBTMU-ITDIGPHOSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.01
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

(3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride
CID 139529845
(2S,3R,5R)-3-acetamido-N-tert-butyl-5-ethenyl-2-methylpiperidine-3-carboxamide;hydrochloride
CID 139529855
(1S,2S,4S)-1-acetamido-4-amino-N-tert-butyl-2-prop-2-enylcyclopentane-1-carboxamide
CID 141443834
(1S,2S,3aS,6aR)-2-acetamido-N-tert-butyl-5-oxo-1-prop-2-enyl-1,3,3a,4,6,6a-hexahydropentalene-2-carboxamide
CID 155933220
(4S,6aR)-5-acetamido-N-tert-butyl-3-methyl-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide
CID 158362690
[2-[(1S,2R,4R)-2-acetamido-2-(tert-butylcarbamoyl)-4-ethenylcyclohexyl]-3,3-dimethylbutan-2-yl] carbamate
CID 175211060
tert-butyl (3R)-4-ethenyl-2,2-dimethyloxolane-3-carboxylate
CID 89313667
(1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide
CID 67678251
cis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide
CID 158423097
(1S,2S,3aS,6R,6aR)-2-acetamido-N-tert-butyl-6-fluoro-5,5-dimethoxy-1-prop-2-enyl-1,3,3a,4,6,6a-hexahydropentalene-2-carboxamide
CID 155933217
(1S,5S)-2-(tert-butylcarbamoyl)-2-methyl-3-prop-2-enylbicyclo[3.1.0]hexane-1-carboxylic acid
CID 159932884
CID 101156417
CID 101156417

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S)-1-acetamido-N-tert-butyl-3-ethenyl-4-methylcyclopentane-1-carboxamide?
The IUPAC name of (1R,3R,4S)-1-acetamido-N-tert-butyl-3-ethenyl-4-methylcyclopentane-1-carboxamide (CID 157241533) is (1R,3R,4S)-1-acetamido-N-tert-butyl-3-ethenyl-4-methylcyclopentane-1-carboxamide.
What is the SMILES notation for (1R,3R,4S)-1-acetamido-N-tert-butyl-3-ethenyl-4-methylcyclopentane-1-carboxamide?
The canonical SMILES for (1R,3R,4S)-1-acetamido-N-tert-butyl-3-ethenyl-4-methylcyclopentane-1-carboxamide is C=C[C@H]1C[C@@](NC(C)=O)(C(=O)NC(C)(C)C)C[C@@H]1C.
What is the InChIKey of (1R,3R,4S)-1-acetamido-N-tert-butyl-3-ethenyl-4-methylcyclopentane-1-carboxamide?
The InChIKey is VNMGYCIKKRBTMU-ITDIGPHOSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-7-12-9-15(8-10(12)2,16-11(3)18)13(19)17-14(4,5)6/h7,10,12H,1,8-9H2,2-6H3,(H,16,18)(H,17,19)/t10-,12-,15+/m0/s1.
What are the key properties of (1R,3R,4S)-1-acetamido-N-tert-butyl-3-ethenyl-4-methylcyclopentane-1-carboxamide?
(1R,3R,4S)-1-acetamido-N-tert-butyl-3-ethenyl-4-methylcyclopentane-1-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-1-acetamido-N-tert-butyl-3-ethenyl-4-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 157241533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).